Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0DL6J
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| Former ID |
DNC012533
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| Drug Name |
CI-1044
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| Synonyms |
CI-1044; UNII-O4T475XIIY; O4T475XIIY; 197894-84-1; DSSTox_CID_27291; DSSTox_RID_82245; DSSTox_GSID_47291; CAS-NOCAS_47291; SCHEMBL6441242; CHEMBL342285; DTXSID5047291; NOCAS_47291; Tox21_300455; NCGC00254387-01; NCGC00248057-01; PD-189659; HY-100246; CS-0018397; (+)-CI-1044; 3-Pyridinecarboxamide, N-((3R)-9-amino-3,4,6,7-tetrahydro-4-oxo-1-phenylpyrrolo(3,2,1-jk)(1,4)benzodiazepin-3-yl)-; 3-Pyridinecarboxamide, N-(9-amino-3,4,6,7-tetrahydro-4-oxo-1-phenylpyrrolo(3,2,1-jk)(1,4)benzodiazepin-3-yl)-, (R)-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C23H19N5O2
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| Canonical SMILES |
C1CN2C(=O)C(N=C(C3=CC(=CC1=C32)N)C4=CC=CC=C4)NC(=O)C5=CN=CC=C5
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| 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
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| InChIKey |
XGXOSJSGDNPEEF-NRFANRHFSA-N
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| CAS Number |
CAS 197894-84-1
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Phosphodiesterase 4A (PDE4A) | Target Info | Inhibitor | [1] |
| Phosphodiesterase 4B (PDE4B) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Purine metabolism | |||
| cAMP signaling pathway | ||||
| Morphine addiction | ||||
| NetPath Pathway | IL5 Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| Reactome | DARPP-32 events | |||
| G alpha (s) signalling events | ||||
| WikiPathways | G Protein Signaling Pathways | |||
| Myometrial Relaxation and Contraction Pathways | ||||
| Nuclear Receptors Meta-Pathway | ||||
| Opioid Signalling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 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]indol... J Med Chem. 2000 Dec 14;43(25):4850-67. | |||
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