Details of the Drug

General Information of Drug (ID: DMLVCZR)

Drug Name
ACH-4471
Synonyms
PIBARDGJJAGJAJ-NQIIRXRSSA-N; UNII-JM8C1SFX0U; JM8C1SFX0U; SCHEMBL17024981; 1903768-17-1; (2S,4R)-1-(2-(3-Acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
Indication
Disease Entry ICD 11 Status REF
Anaemia 3A90 Phase 2 [1]
Glomerulonephritis 5D00.Y Phase 1 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 580.4
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C26H23BrFN7O3
IUPAC Name
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
Canonical SMILES
CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F
InChI
InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1
InChIKey
PIBARDGJJAGJAJ-NQIIRXRSSA-N
Cross-matching ID
PubChem CID
118323590
CAS Number
1903768-17-1
UNII
JM8C1SFX0U
DrugBank ID
DB15401
TTD ID
D0C9MA
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Complement factor D (CFD) TT8D13I CFAD_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03053102) Study of Danicopan in Participants With Paroxysmal Nocturnal Hemoglobinuria (PNH). U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)