Details of the Drug

General Information of Drug (ID: DMRQ32K)

Drug Name
AX-024
Synonyms VMMKGVRPILDZML-UHFFFAOYSA-N; SCHEMBL903258; AKOS030622922; CS-8052; HY-107390; 1370544-73-2
Indication
Disease Entry ICD 11 Status REF
Multiple sclerosis 8A40 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 339.4
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H22FNO2
IUPAC Name
1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]pyrrolidine
Canonical SMILES
COC1=CC2=C(C=C1)OCC(=C2C3=CC=C(C=C3)F)CN4CCCC4
InChI
InChI=1S/C21H22FNO2/c1-24-18-8-9-20-19(12-18)21(15-4-6-17(22)7-5-15)16(14-25-20)13-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3
InChIKey
VMMKGVRPILDZML-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
56949412
TTD ID
D00JDJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
NCK adaptor protein 1 (NCK1) TTMA3VF NCK1_HUMAN Modulator [1]
T-cells (T-cells) TTXQYT6 NOUNIPROTAC Inhibitor [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)