Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0W1ST
|
|||
| Former ID |
DNC000625
|
|||
| Drug Name |
Ethyl 1-[(1H-benzimidazol-2(3H)one-5-yl)sulfonyl]-1H-pyrrole-2-carboxylate
|
|||
| Synonyms |
2-(Morpholin-4-yl)-benzo[h]chromen-4-one; 154447-35-5; NU7026; NU 7026; DNA-PK Inhibitor II; NU-7026; 2-morpholino-4H-benzo[h]chromen-4-one; LY293646; LY-293646; 2-(4-Morpholinyl)-4H-naphthol[1,2-b]pyran-4-one; 2-(4-morpholinyl)-4H-naphtho[1,2-b]pyran-4-one; CHEMBL104468; AK186905; DNA-Dependent Protein Kinase Inhibitor II; 2-morpholin-4-ylbenzo[h]chromen-4-one; SCHEMBL610237; ZINC9230; GTPL5959; KS-00000XHI; CTK0E7833; CHEBI:92165; DTXSID10432010; AOB2835; MolPort-009-019-548; HMS3229C11; EX-A1100; BCP04736; IN1364; s2893
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C17H15NO3
|
|||
| Canonical SMILES |
C1COCCN1C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
|
|||
| InChI |
1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
|
|||
| InChIKey |
KKTZALUTXUZPSN-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 154447-35-5
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
14824482, 24153642, 26758566, 29217598, 45282815, 46493714, 47646529, 53800804, 74857208, 85177285, 85787186, 99302648, 103322569, 103995217, 117682508, 125333738, 134340007, 134340304, 134341150, 134964493, 135698542, 136946413, 137013879, 139707245, 144116289, 152133999, 162009818, 162012013, 162249151, 162452088, 163688273, 163893760, 164210230, 172820844, 174527623, 175607398, 178102582, 186014794, 187071986, 204375288, 208265014, 210275299, 210280948, 223375828, 226912051, 248817936, 251971082, 252156820, 252450458, 252554252
|
|||
| ChEBI ID |
CHEBI:92165
|
|||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Computer-assisted design, synthesis and biological evaluation of novel pyrrolyl heteroaryl sulfones targeted at HIV-1 reverse transcriptase as non-nucleoside inhibitors. Bioorg Med Chem. 2000 Sep;8(9):2305-9. | |||
| REF 2 | LY294002-geldanamycin heterodimers as selective inhibitors of the PI3K and PI3K-related family. Bioorg Med Chem Lett. 2001 Apr 9;11(7):909-13. | |||
| REF 3 | Discovery of potent chromen-4-one inhibitors of the DNA-dependent protein kinase (DNA-PK) using a small-molecule library approach. J Med Chem. 2005 Dec 1;48(24):7829-46. | |||
| REF 4 | Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and... J Med Chem. 2005 Jan 27;48(2):569-85. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.