Drug Information

Drug General Information
Drug ID
D0UU1I
Former ID
DNC002423
Drug Name
Heme
Drug Type
Small molecular drug
Indication Discovery agent Investigative [467686]
Structure
Download
2D MOL

3D MOL
Formula
C34H32FeN4O4
InChI
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2
InChIKey
KABFMIBPWCXCRK-UHFFFAOYSA-L
PubChem Compound ID
26945
PubChem Substance ID
598147, 11567731, 11567732, 50074840, 53790568, 57310353, 57322552, 76721894, 104298682, 104307920, 104631336, 104631339, 134989497, 160966170, 163113594, 178101166, 198981484
Target and Pathway
Target(s) Flavohemoglobin Target Info Inhibitor [551374]
Heme oxygenase Target Info Inhibitor [551374]
Prostaglandin G/H synthase 1 Target Info Inhibitor [551374]
Fumarate reductase flavoprotein subunit Target Info Inhibitor [551374]
Prostaglandin G/H synthase 2 Target Info Inhibitor [551374]
Cytochrome p450 121 Target Info Inhibitor [551374]
Cystathionine beta-synthase Target Info Inhibitor [551374]
Arachidonate 5-lipoxygenase Target Info Inhibitor [551374]
Nitric-oxide synthase, endothelial Target Info Inhibitor [551374]
Hemoglobin Target Info Inhibitor [551374]
Nitric-oxide synthase, brain Target Info Inhibitor [551374]
Cytochrome P450 3A4 Target Info Inhibitor [551374]
Nitric oxide synthase, inducible Target Info Inhibitor [551374]
BioCyc Pathway Heme degradationPWY66-374:C20 prostanoid biosynthesisPWY66-393:Aspirin-triggered lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
C20 prostanoid biosynthesis
Aspirin triggered resolvin E biosynthesisPWY66-426:Hydrogen sulfide biosynthesis (trans-sulfuration)
Cysteine biosynthesis/homocysteine degradation (trans-sulfuration)
Superpathway of methionine degradation
Cysteine biosynthesisPWY66-393:Aspirin-triggered lipoxin biosynthesis
Resolvin D biosynthesis
Leukotriene biosynthesis
Lipoxin biosynthesis
Aspirin triggered resolvin E biosynthesisPWY-4983:Citrulline-nitric oxide cyclePWY-4983:Citrulline-nitric oxide cyclePWY-4983:Citrulline-nitric oxide cycle
KEGG Pathway Porphyrin and chlorophyll metabolism
HIF-1 signaling pathway
Mineral absorption
MicroRNAs in cancerhsa00590:Arachidonic acid metabolism
Metabolic pathways
Platelet activation
Serotonergic synapsehsa00590:Arachidonic acid metabolism
NF-kappa B signaling pathway
VEGF signaling pathway
TNF signaling pathway
Retrograde endocannabinoid signaling
Serotonergic synapse
Ovarian steroidogenesis
Oxytocin signaling pathway
Regulation of lipolysis in adipocytes
Leishmaniasis
Pathways in cancer
Chemical carcinogenesis
MicroRNAs in cancer
Small cell lung cancerhsa00260:Glycine, serine and threonine metabolism
Cysteine and methionine metabolism
Biosynthesis of antibiotics
Biosynthesis of amino acidshsa00590:Arachidonic acid metabolism
Toxoplasmosishsa00330:Arginine and proline metabolism
Calcium signaling pathway
cGMP-PKG signaling pathway
Sphingolipid signaling pathway
PI3K-Akt signaling pathway
Estrogen signaling pathway
Oxytocin signaling pathwayhsa05143:African trypanosomiasis
Malariahsa00330:Arginine and proline metabolism
Phagosome
Circadian entrainment
Long-term depression
Salivary secretion
Alzheimer's disease
Amyotrophic lateral sclerosis (ALS)hsa00140:Steroid hormone biosynthesis
Linoleic acid metabolism
Retinol metabolism
Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
Drug metabolism - other enzymes
Bile secretion
Chemical carcinogenesishsa00220:Arginine biosynthesis
Arginine and proline metabolism
Peroxisome
Salmonella infection
Pertussis
Chagas disease (American trypanosomiasis)
Toxoplasmosis
Amoebiasis
Tuberculosis
Small cell lung cancer
NetPath Pathway TGF_beta_Receptor Signaling PathwayNetPath_13:IL1 Signaling Pathway
TSH Signaling Pathway
IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
IL5 Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling PathwayNetPath_16:IL4 Signaling PathwayNetPath_8:Wnt Signaling PathwayNetPath_4:EGFR1 Signaling PathwayNetPath_13:IL1 Signaling Pathway
IL2 Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathwayP00019:Endothelin signaling pathway
Inflammation mediated by chemokine and cytokine signaling pathway
Toll receptor signaling pathway
CCKR signaling map STP02737:Cysteine biosynthesisP00005:Angiogenesis
Endothelin signaling pathway
Interleukin signaling pathway
PI3 kinase pathway
VEGF signaling pathwayP06959:CCKR signaling map ST
Pathway Interaction Database Validated transcriptional targets of AP1 family members Fra1 and Fra2
HIF-1-alpha transcription factor networknfat_tfpathway:Calcineurin-regulated NFAT-dependent transcription in lymphocytes
S1P1 pathway
C-MYB transcription factor network
Signaling mediated by p38-alpha and p38-beta
Calcium signaling in the CD4+ TCR pathwayer_nongenomic_pathway:Plasma membrane estrogen receptor signaling
Angiopoietin receptor Tie2-mediated signaling
Thromboxane A2 receptor signaling
SHP2 signaling
VEGFR1 specific signals
Signaling events mediated by VEGFR1 and VEGFR2
PAR1-mediated thrombin signaling eventsil12_2pathway:IL12-mediated signaling events
Alpha9 beta1 integrin signaling events
ATF-2 transcription factor network
IL23-mediated signaling events
HIF-1-alpha transcription factor network
PathWhiz Pathway Porphyrin MetabolismPW000044:Arachidonic Acid MetabolismPW000044:Arachidonic Acid MetabolismPW000007:Selenoamino Acid Metabolism
Homocysteine Degradation
Methionine Metabolism
Glycine and Serine MetabolismPW000044:Arachidonic Acid MetabolismPW000010:Arginine and Proline MetabolismPW000015:Caffeine Metabolism
Retinol Metabolism
Reactome Iron uptake and transportR-HSA-1222556:ROS production in response to bacteria
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
eNOS activation
Nitric oxide stimulates guanylate cyclase
VEGFR2 mediated vascular permeabilityR-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Scavenging of heme from plasmaR-HSA-1222556:ROS production in response to bacteria
Nitric oxide stimulates guanylate cyclaseR-HSA-211981:Xenobiotics
Aflatoxin activation and detoxificationR-HSA-1222556:ROS production in response to bacteria
WikiPathways Oxidative Stress
Transcriptional activation by NRF2
NRF2 pathway
Nuclear Receptors Meta-Pathway
miR-targeted genes in squamous cell - TarBase
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in leukocytes - TarBase
miR-targeted genes in epithelium - TarBaseWP98:Prostaglandin Synthesis and Regulation
Arachidonic acid metabolism
Phase 1 - Functionalization of compounds
Eicosanoid Synthesis
Selenium Micronutrient NetworkWP98:Prostaglandin Synthesis and Regulation
Aryl Hydrocarbon Receptor
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Spinal Cord Injury
Integrated Pancreatic Cancer Pathway
Selenium Micronutrient NetworkWP2877:Vitamin D Receptor Pathway
Metabolism of amino acids and derivatives
Trans-sulfuration and one carbon metabolism
Trans-sulfuration pathway
Folate Metabolism
Folate-Alcohol and Cancer Pathway
Vitamin B12 Metabolism
Selenium Micronutrient NetworkWP554:ACE Inhibitor Pathway
EGF/EGFR Signaling Pathway
Myometrial Relaxation and Contraction Pathways
JAK/STAT
Corticotropin-releasing hormone
AGE/RAGE pathway
Endothelin Pathways
Leptin signaling pathway
Effects of Nitric Oxide
Metabolism of nitric oxide
AngiogenesisWP2784:Binding and Uptake of Ligands by Scavenger Receptors
Uptake of Carbon Dioxide and Release of Oxygen by Erythrocytes
Uptake of Oxygen and Release of Carbon Dioxide by Erythrocytes
Factors involved in megakaryocyte development and platelet production
Selenium Micronutrient NetworkWP727:Monoamine Transport
Amyotrophic lateral sclerosis (ALS)
Alzheimers Disease
Serotonin Transporter ActivityWP702:Metapathway biotransformation
Aflatoxin B1 metabolism
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors in Lipid Metabolism and Toxicity
Farnesoid X Receptor Pathway
Vitamin D Receptor Pathway
Felbamate Metabolism
Lidocaine metabolism
Nifedipine Activity
Colchicine Metabolic Pathway
Irinotecan Pathway
Drug Induction of Bile Acid Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine MetabolismWP619:Type II interferon signaling (IFNG)
References
Ref 467686(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4349).
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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