Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0T7BV
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| Former ID |
DIB018018
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| Drug Name |
PMID22911925C2
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| Synonyms |
compound 37 [PMID: 22468684]; GTPL6950; BDBM50397703; 0K9
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| Drug Type |
Small molecular drug
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| Indication | Diabetic complication [ICD-11: 5A2Y; ICD-9: 253.5, 588.1] | Clinical trial | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C33H44N4O4S
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| Canonical SMILES |
CC(C(=O)NC(CC1=CC(=CC=C1)C2=NC=CS2)C(CNC3CC4(CCC4)OC5=C3C=C(C=N5)CC(C)(C)C)O)OC
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| InChI |
1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26+,27+,28-/m1/s1
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| InChIKey |
IUSARDYWEPUTPN-OZBXUNDUSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Beta-secretase (BACE) | Target Info | Inhibitor | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J Med Chem. 2012 Nov 8;55(21):9025-44. | |||
| REF 2 | Establishing the relationship between in vitro potency, pharmacokinetic, and pharmacodynamic parameters in a series of orally available, hydroxyethylamine-derived beta-secretase inhibitors. J Pharmacol Exp Ther. 2012 Nov;343(2):460-7. | |||
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