Details of the Drug

General Information of Drug (ID: DM3OP41)

Drug Name
LXR 623
Synonyms LXR-623
Indication
Disease Entry ICD 11 Status REF
Arteriosclerosis BD40 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 422.8
Logarithm of the Partition Coefficient (xlogp) 6.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H12ClF5N2
IUPAC Name
2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)indazole
Canonical SMILES
C1=CC2=C(N(N=C2C(=C1)C(F)(F)F)CC3=C(C=C(C=C3)F)Cl)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H12ClF5N2/c22-18-10-15(24)9-6-13(18)11-29-20(12-4-7-14(23)8-5-12)16-2-1-3-17(19(16)28-29)21(25,26)27/h1-10H,11H2
InChIKey
KYWWJENKIMRJBI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16734800
ChEBI ID
CHEMBL456237
CAS Number
875787-07-8
TTD ID
D0R4EN
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Oxysterols receptor LXR (NR1H) TTM1EQF NOUNIPROTAC Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Liver X receptors in lipid metabolism: opportunities for drug discovery. Nat Rev Drug Discov. 2014 Jun;13(6):433-44.