Drug Information

Drug General Information
Drug ID
D0V3TE
Former ID
DNC014673
Drug Name
AdoC(beta-Ala)Arg6
Indication Discovery agent Investigative [525511]
Structure
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2D MOL

3D MOL
Formula
C49H88N30O12
Canonical SMILES
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)NCCC(=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)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)O)O
InChI
1S/C49H88N30O12/c50-34-30-35(71-21-70-34)79(22-72-30)42-32(82)31(81)33(91-42)41(88)63-20-13-29(80)73-23(7-1-14-64-44(51)52)36(83)74-24(8-2-15-65-45(53)54)37(84)75-25(9-3-16-66-46(55)56)38(85)76-26(10-4-17-67-47(57)58)39(86)77-27(11-5-18-68-48(59)60)40(87)78-28(43(89)90)12-6-19-69-49(61)62/h21-28,31-33,42,81-82H,1-20H2,(H,63,88)(H,73,80)(H,74,83)(H,75,84)(H,76,85)(H,77,86)(H,78,87)(H,89,90)(H2,50,70,71)(H4,51,52,64)(H4,53,54,65)(H4,55,56,66)(H4,57,58,67)(H4,59,60,68)(H4,61,62,69)/t23-,24-,25-,26-,27-,28-,31+,32-,33+,42?/m1/s1
InChIKey
SKHJPFQNPQEHHQ-VOMWTDLXSA-N
PubChem Compound ID
46877397
Target and Pathway
Target(s) CAMP-dependent protein kinase type I-alpha regulatory chain Target Info Inhibitor [525511]
CAMP-dependent protein kinase type II-beta 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
Metabotropic glutamate receptor group I pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Transcription regulation by bZIP transcription factor
GABA-B receptor II signalingP00019:Endothelin signaling pathway
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 release
Pathway Interaction Database Alpha4 beta1 integrin signaling events
PathWhiz Pathway Muscle/Heart Contraction
Reactome PKA activation
PKA activation in glucagon signalling
DARPP-32 events
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
Vasopressin regulates renal water homeostasis via Aquaporins
Hedgehog 'off' state
Factors involved in megakaryocyte development and platelet productionR-HSA-163615:PKA activation
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
Anchoring of the basal body to the plasma membrane
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
Mesodermal Commitment Pathway
DAG and IP3 signaling
Regulation of Water Balance by Renal Aquaporins
miRs in Muscle Cell Differentiation
Opioid Signalling
Integration of energy metabolism
Factors involved in megakaryocyte development and platelet productionWP706:SIDS Susceptibility Pathways
Mitotic G2-G2/M phases
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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