Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05UPB
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| Former ID |
DNC000428
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| Drug Name |
CI-972
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| Drug Type |
Small molecular drug
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| Indication | Rheumatoid arthritis [ICD9: 710-719, 714; ICD10:M05-M06] | Discontinued in Phase 1 | [545178] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C11H12ClN5OS
|
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| Canonical SMILES |
C1=CSC=C1CC2=C(NC3=C2NC(=NC3=O)N)N.Cl
|
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| InChI |
1S/C11H11N5OS.ClH/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7;/h1-2,4,14H,3,12H2,(H3,13,15,16,17);1H
|
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| InChIKey |
SLNICZJKQXPOJA-UHFFFAOYSA-N
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| CAS Number |
CAS 115787-68-3
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| SuperDrug ATC ID |
P01BE05
|
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| SuperDrug CAS ID |
cas=081496813
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| Target and Pathway | |||||
| Target(s) | Purine nucleoside phosphorylase | Target Info | Inhibitor | [536061] | |
| BioCyc Pathway | Arsenate detoxification I (glutaredoxin) | ||||
| Purine nucleotides degradation | |||||
| Urate biosynthesis/inosine 5'-phosphate degradation | |||||
| Purine deoxyribonucleosides degradation | |||||
| Purine ribonucleosides degradation to ribose-1-phosphate | |||||
| Guanosine nucleotides degradation | |||||
| Adenosine nucleotides degradation | |||||
| Superpathway of purine nucleotide salvage | |||||
| Adenine and adenosine salvage III | |||||
| Guanine and guanosine salvage | |||||
| NetPath Pathway | TCR Signaling Pathway | ||||
| EGFR1 Signaling Pathway | |||||
| PathWhiz Pathway | Purine Metabolism | ||||
| Nicotinate and Nicotinamide Metabolism | |||||
| Reactome | Purine salvage | ||||
| Purine catabolism | |||||
| References | |||||
| Ref 536061 | Inhibitors of human purine nucleoside phosphorylase. Synthesis of pyrrolo[3,2-d]pyrimidines, a new class of purine nucleoside phosphorylase inhibitors as potentially T-cell selective immunosuppressive agents. Description of 2,6-diamino-3,5-dihydro-7-(3-thienylmethyl)-4H-pyrrolo[3,2-d] pyrimidin-4-one. J Med Chem. 1992 May 1;35(9):1605-9. | ||||
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