Drug Information

Drug General Information
Drug ID
D0DL6J
Former ID
DNC012533
Drug Name
CI-1044
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525932]
Structure
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2D MOL

3D MOL
Formula
C23H19N5O2
Canonical SMILES
C1CN2C(=O)C(N=C(C3=CC(=CC1=C32)N)C4=CC=CC=C4)NC(=O)C5=C<br />N=CC=C5
InChI
1S/C23H19N5O2/c24-17-11-15-8-10-28-20(15)18(12-17)19(14-5-2-1-3-6-14)26-21(23(28)30)27-22(29)16-7-4-9-25-13-16/h1-7,9,11-13,21H,8,10,24H2,(H,27,29)/t21-/m0/s1
InChIKey
XGXOSJSGDNPEEF-NRFANRHFSA-N
PubChem Compound ID
9843744
Target and Pathway
Target(s) CAMP-specific 3',5'-cyclic phosphodiesterase 4B Target Info Inhibitor [525932]
CAMP-specific 3',5'-cyclic phosphodiesterase 4A Target Info Inhibitor [525932]
KEGG Pathway Purine metabolism
cAMP signaling pathway
Morphine addictionhsa00230:Purine metabolism
Morphine addiction
NetPath Pathway IL5 Signaling Pathway
IL2 Signaling Pathway
Reactome DARPP-32 events
G alpha (s) signalling eventsR-HSA-180024:DARPP-32 events
G alpha (s) signalling events
WikiPathways G Protein Signaling Pathways
Myometrial Relaxation and Contraction Pathways
Nuclear Receptors Meta-Pathway
Opioid SignallingWP35:G Protein Signaling Pathways
References
Ref 525932J Med Chem. 2000 Dec 14;43(25):4850-67.Synthesis, structure-activity relationships, and pharmacological profile of 9-amino-4-oxo-1-phenyl-3,4,6,7-tetrahydro[1,4]diazepino[6, 7,1-hi]indoles: discoveryof potent, selective phosphodiesterase type 4 inhibitors.
Ref 525932J Med Chem. 2000 Dec 14;43(25):4850-67.Synthesis, structure-activity relationships, and pharmacological profile of 9-amino-4-oxo-1-phenyl-3,4,6,7-tetrahydro[1,4]diazepino[6, 7,1-hi]indoles: discoveryof potent, selective phosphodiesterase type 4 inhibitors.

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