Details of the Drug

General Information of Drug (ID: DM81UAZ)

Drug Name
TAK-272
Indication
Disease Entry ICD 11 Status REF
Type-2 diabetes 5A11 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 536.1
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 10
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Chemical Identifiers
Formula
C27H42ClN5O4
IUPAC Name
1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]benzimidazole-2-carboxamide;hydrochloride
Canonical SMILES
CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)C3=NC4=CC=CC=C4N3CCCCOC.Cl
InChI
InChI=1S/C27H41N5O4.ClH/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3;/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3;1H/t21-,22+;/m1./s1
InChIKey
PUXOYQIZZIWCHH-NSLUPJTDSA-N
Cross-matching ID
PubChem CID
56591871
ChEBI ID
CHEMBL3969876
CAS Number
1202269-24-6
TTD ID
D0A5SA
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Angiotensinogenase renin (REN) TTB2MXP RENI_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02332824) A Phase 2 Dose-finding Study of TAK-272 in Patients With Type 2 Diabetes Mellitus and Microalbuminuria. U.S. National Institutes of Health.
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800033655)