Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K0UJ
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| Former ID |
DIB019441
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| Drug Name |
PMID20936789C31
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| Synonyms |
GTPL8180; BDBM50330575
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C21H28N4O5
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| Canonical SMILES |
CC1C(N(CCC1C(=O)O)C2=NC(=CN=C2N)C3=CC(=C(C(=C3)OC)OC)OC)C
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| InChI |
1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1
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| InChIKey |
YPKLAWUGDWZBMV-OUCADQQQSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | NIMA-related kinase 1 (NEK1) | Target Info | Inhibitor | [1] |
| NIMA-related kinase 2 (NEK2) | Target Info | Inhibitor | [1] | |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. J Med Chem. 2010 Nov 11;53(21):7682-98. | |||
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