Drug Information
Drug General Information | Top | |||
---|---|---|---|---|
Drug ID |
D0JD1O
|
|||
Former ID |
DNC003462
|
|||
Drug Name |
Carba-Nicotinamide-Adenine-Dinucleotide
|
|||
Synonyms |
Carba-NAD; Carbanicotinamide adenine dinucleotide; 112345-60-5; AC1L4TS7; AC1Q5J0L; SCHEMBL16445201; 5'-o-{[({[(1r,2r,3s,4r)-4-(3-carbamoylpyridinium-1-yl)-2,3-dihydroxycyclopentyl]methoxy}phosphinato)oxy](hydroxy)phosphoryl}adenosine; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(1R,2R,3S,4R)-4-(3-carbamoylpyridin-1-ium-1-yl)-2,3-dihydroxycyclopentyl]methyl phosphate; Adenosine 5'-(trihydrogen diphosphate), 5'-((4-(3-(aminocarbonyl)pyridinio)-2,3-dihydroxycyclopentyl)m
Click to Show/Hide
|
|||
Drug Type |
Small molecular drug
|
|||
Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
|||
Formula |
C22H30N7O13P2+
|
|||
Canonical SMILES |
C1C(C(C(C1[N+]2=CC=CC(=C2)C(=O)N)O)O)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O
|
|||
InChI |
1S/C22H29N7O13P2/c23-19-14-21(26-8-25-19)29(9-27-14)22-18(33)17(32)13(41-22)7-40-44(37,38)42-43(35,36)39-6-11-4-12(16(31)15(11)30)28-3-1-2-10(5-28)20(24)34/h1-3,5,8-9,11-13,15-18,22,30-33H,4,6-7H2,(H5-,23,24,25,26,34,35,36,37,38)/p+1/t11-,12-,13-,15-,16+,17-,18-,22-/m1/s1
|
|||
InChIKey |
DGPLSUKWXXSBCU-VGXGLJSLSA-O
|
|||
PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
---|---|---|---|---|
Target(s) | Poly [ADP-ribose] polymerase 1 (PARP1) | Target Info | Inhibitor | [1] |
KEGG Pathway | Base excision repair | |||
NF-kappa B signaling pathway | ||||
Panther Pathway | FAS signaling pathway | |||
Pathway Interaction Database | Integrin-linked kinase signaling | |||
Caspase Cascade in Apoptosis | ||||
Notch-mediated HES/HEY network | ||||
Reactome | Dual Incision in GG-NER | |||
WikiPathways | FAS pathway and Stress induction of HSP regulation | |||
Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer | ||||
Nanoparticle triggered regulated necrosis | ||||
Corticotropin-releasing hormone |
References | Top | |||
---|---|---|---|---|
REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.