Details of the Drug

General Information of Drug (ID: DMCAFXM)

Drug Name
ALX-101
Synonyms
Rovazolac; UNII-W51K389XIL; W51K389XIL; Rovazolac [INN]; GTPL9625; SCHEMBL15242823; ZUMNJDGBYXHASJ-UHFFFAOYSA-N; example 36 [WO2013130892]; HY-109073; CS-0033536; A-110; ethyl 2-[5-[4-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetate; ethyl 2-(5-(3'-(methylsulfonyl)biphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate; ethyl 2-(5-(3'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate; Ethyl 2-(5-(3'-(methylsulfonyl)-(1,1'-biphenyl)-4-yl)-3-(trifluoromethy
Indication
Disease Entry ICD 11 Status REF
Atopic dermatitis EA80 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 452.4
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C21H19F3N2O4S
IUPAC Name
ethyl 2-[5-[4-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
Canonical SMILES
CCOC(=O)CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C
InChI
InChI=1S/C21H19F3N2O4S/c1-3-30-20(27)13-26-18(12-19(25-26)21(22,23)24)15-9-7-14(8-10-15)16-5-4-6-17(11-16)31(2,28)29/h4-12H,3,13H2,1-2H3
InChIKey
ZUMNJDGBYXHASJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
89792952
CAS Number
1454288-88-0
TTD ID
D0CT5O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Oxysterols receptor LXR (NR1H) TTM1EQF NOUNIPROTAC 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)