Drug General Information
Drug ID
D02AVZ
Former ID
DNC002718
Drug Name
2-Phenylheme
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551393]
Structure
Download
2D MOL

3D MOL

Formula
C36H30FeN4O2
Canonical SMILES
CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C(=C5C=CC(=N5)C=C1[N-<br />]2)C6=CC=CC=C6)CCC(=O)O)C)C(=C3C)C=C)C=C.[Fe+2]
InChI
1S/C36H31N4O2.Fe/c1-6-25-20(3)29-17-24-13-15-28(37-24)35(23-11-9-8-10-12-23)36-27(14-16-34(41)42)22(5)31(40-36)19-33-26(7-2)21(4)30(39-33)18-32(25)38-29;/h6-13,15,17-19H,1-2,14,16H2,3-5H3,(H2-,37,38,39,40,41,42);/q-1;+2/p-1
InChIKey
OKXXLWPLHDCBIL-UHFFFAOYSA-M
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Heme oxygenase Target Info Inhibitor [551393]
BioCyc Pathway Heme degradation
KEGG Pathway Porphyrin and chlorophyll metabolism
HIF-1 signaling pathway
Mineral absorption
MicroRNAs in cancer
Pathway Interaction Database Validated transcriptional targets of AP1 family members Fra1 and Fra2
HIF-1-alpha transcription factor network
PathWhiz Pathway Porphyrin Metabolism
Reactome Iron uptake and transport
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 - TarBase
References
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

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