Details of the Drug

General Information of Drug (ID: DMZQ2DK)

Drug Name
AMG 986
Synonyms
DOMQFIFVDIAOOT-ROUUACIJSA-N; UNII-4B8REJ8ZGY; 4B8REJ8ZGY; Azelaprag; Azelaprag [INN]; azelaprag (proposed INN); AMG986; SCHEMBL18247065; GTPL10061; AMG-986; 2049980-18-7; example 263 [WO2016187308A1]; (2S,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-1,2,4-triazol-3-yl]-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide; 2-Pyrimidineethanesulfonamide, N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-alpha,beta,5-trimethyl-, (alphaS,betaR)-
Indication
Disease Entry ICD 11 Status REF
Heart failure BD10-BD13 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 523.6
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C25H29N7O4S
IUPAC Name
(2S,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-1,2,4-triazol-3-yl]-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
Canonical SMILES
CC1=CC(=CN=C1)C2=NN=C(N2C3=C(C=CC=C3OC)OC)NS(=O)(=O)[C@@H](C)[C@H](C)C4=NC=C(C=N4)C
InChI
InChI=1S/C25H29N7O4S/c1-15-10-19(14-26-11-15)24-29-30-25(32(24)22-20(35-5)8-7-9-21(22)36-6)31-37(33,34)18(4)17(3)23-27-12-16(2)13-28-23/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1
InChIKey
DOMQFIFVDIAOOT-ROUUACIJSA-N
Cross-matching ID
PubChem CID
122702529
ChEBI ID
CHEMBL4866732
CAS Number
2049980-18-7
TTD ID
D0QX9K
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
Apelin receptor (APLNR) TTJ8E43 APJ_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)