Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05YCQ
|
|||
| Former ID |
DNC013228
|
|||
| Drug Name |
NSC-47729
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C23H19ClN4NaO7S2+
|
|||
| Canonical SMILES |
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3C(=NN(C3=O)C4=C(C=C(C=C4)Cl)S(=O)(=O)O)C.[Na+]
|
|||
| InChI |
1S/C23H19ClN4O7S2.Na/c1-14-3-10-19(11-4-14)37(33,34)35-18-8-6-17(7-9-18)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32;/h3-13,22H,1-2H3,(H,30,31,32);/q;+1
|
|||
| InChIKey |
DXKDBQWDRGRKGC-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 6372-96-9
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Phosphoribosylaminoimidazolecarboxamide formyltransferase (ATIC) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identif... J Med Chem. 2004 Dec 30;47(27):6681-90. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.