Drug Information

Drug General Information
Drug ID
D0RC8H
Former ID
DNC014690
Drug Name
AdoC(beta-Ala)2AlaArg6
Indication Discovery agent Investigative [525511]
Structure
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2D MOL

3D MOL
Formula
C55H98N32O14
Canonical SMILES
CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C<br />(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN<br />=C(N)N)C(=O)O)NC(=O)CCNC(=O)CCNC(=O)C1C(C(C(O1)N2C=NC3=<br />C2N=CN=C3N)O)O
InChI
1S/C55H98N32O14/c1-26(80-34(89)15-22-69-33(88)14-23-70-47(98)38-36(90)37(91)48(101-38)87-25-79-35-39(56)77-24-78-40(35)87)41(92)81-27(8-2-16-71-50(57)58)42(93)82-28(9-3-17-72-51(59)60)43(94)83-29(10-4-18-73-52(61)62)44(95)84-30(11-5-19-74-53(63)64)45(96)85-31(12-6-20-75-54(65)66)46(97)86-32(49(99)100)13-7-21-76-55(67)68/h24-32,36-38,48,90-91H,2-23H2,1H3,(H,69,88)(H,70,98)(H,80,89)(H,81,92)(H,82,93)(H,83,94)(H,84,95)(H,85,96)(H,86,97)(H,99,100)(H2,56,77,78)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t26-,27-,28-,29-,30-,31-,32-,36+,37-,38+,48?/m1/s1
InChIKey
QDXYEHKCQQMPGT-LSDLINHMSA-N
PubChem Compound ID
46877391
Target and Pathway
Target(s) CAMP-dependent protein kinase type II-beta regulatory chain Target Info Inhibitor [525511]
CAMP-dependent protein kinase type I-alpha regulatory chain Target Info Inhibitor [525511]
KEGG Pathway Apoptosis
Insulin signaling pathwayhsa04210:Apoptosis
Insulin signaling pathway
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Endothelin signaling pathway
Hedgehog signaling pathway
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Metabotropic glutamate receptor group III pathway
Metabotropic glutamate receptor group II pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Transcription regulation by bZIP transcription factor
5HT1 type receptor mediated signaling pathway
Beta1 adrenergic receptor signaling pathway
Beta2 adrenergic receptor signaling pathway
Histamine H2 receptor mediated signaling pathway
GABA-B receptor II signaling
Dopamine receptor mediated signaling pathway
Enkephalin releaseP00019:Endothelin signaling pathway
Metabotropic glutamate receptor group I pathway
Pathway Interaction Database Alpha4 beta1 integrin signaling events
PathWhiz Pathway Muscle/Heart Contraction
Reactome PKA activation
PKA activation in glucagon signalling
DARPP-32 events
Regulation of PLK1 Activity at G2/M Transition
Loss of Nlp from mitotic centrosomes
Recruitment of mitotic centrosome proteins and complexes
Loss of proteins required for interphase microtubule organization?from the centrosome
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
Vasopressin regulates renal water homeostasis via Aquaporins
Hedgehog 'off' state
Anchoring of the basal body to the plasma membrane
Factors involved in megakaryocyte development and platelet productionR-HSA-163615:PKA activation
Factors involved in megakaryocyte development and platelet production
WikiPathways SIDS Susceptibility Pathways
Calcium Regulation in the Cardiac Cell
G Protein Signaling Pathways
Myometrial Relaxation and Contraction Pathways
DAG and IP3 signaling
Regulation of Water Balance by Renal Aquaporins
miRs in Muscle Cell Differentiation
Opioid Signalling
Mitotic G2-G2/M phases
Integration of energy metabolism
Factors involved in megakaryocyte development and platelet productionWP706:SIDS Susceptibility Pathways
Mesodermal Commitment Pathway
Factors involved in megakaryocyte development and platelet production
References
Ref 525511Bioorg Med Chem Lett. 1999 May 17;9(10):1447-52.Adenosine-5'-carboxylic acid peptidyl derivatives as inhibitors of protein kinases.
Ref 525511Bioorg Med Chem Lett. 1999 May 17;9(10):1447-52.Adenosine-5'-carboxylic acid peptidyl derivatives as inhibitors of protein kinases.

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