General Information of Drug (ID: DM3UYNR)

Drug Name
BI-224436
Indication
Disease Entry ICD 11 Status REF
Human immunodeficiency virus infection 1C62 Phase 1 [1]
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C27H26N2O4
Canonical SMILES
CC1=NC2=CC=CC=C2C(=C1C(C(=O)O)OC(C)(C)C)C3=C4C5=C(C=C3)OCCC5=CC=N4
InChI
InChI=1S/C27H26N2O4/c1-15-21(25(26(30)31)33-27(2,3)4)23(17-7-5-6-8-19(17)29-15)18-9-10-20-22-16(12-14-32-20)11-13-28-24(18)22/h5-11,13,25H,12,14H2,1-4H3,(H,30,31)/t25-/m0/s1
InChIKey
MIXIIJCBELCMCZ-VWLOTQADSA-N
Cross-matching ID
PubChem CID
66561902
ChEBI ID
CHEMBL3259907
CAS Number
1155419-89-8
TTD ID
D04JTX
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

References

1 Preclinical profile of BI 224436, a novel HIV-1 non-catalytic-site integrase inhibitor. Antimicrob Agents Chemother. 2014 Jun;58(6):3233-44.