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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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)