Details of the Drug

General Information of Drug (ID: DMPO4M1)

Drug Name
Paquinimod
Synonyms ABR-215757; ABR-25757; Project 57-57, Active Biotech
Indication
Disease Entry ICD 11 Status REF
Lupus 4A40 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 350.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H22N2O3
IUPAC Name
N,5-diethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
Canonical SMILES
CCC1=C2C(=CC=C1)N(C(=O)C(=C2O)C(=O)N(CC)C3=CC=CC=C3)C
InChI
InChI=1S/C21H22N2O3/c1-4-14-10-9-13-16-17(14)19(24)18(20(25)22(16)3)21(26)23(5-2)15-11-7-6-8-12-15/h6-13,24H,4-5H2,1-3H3
InChIKey
DIKSYHCCYVYKRO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
54684617
CAS Number
248282-01-1
UNII
HB76GLG27V
DrugBank ID
DB13118
TTD ID
D0G5SU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Calgranulin B (S100A9) TT0TMQG S10A9_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Lupus
ICD Disease Classification 4A40
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Calgranulin B (S100A9) DTT S100A9 2.86E-03 -1.43 -0.9
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01487551) An Open-Label Study to Evaluate Biomarkers and Safety in Systemic Sclerosis Patients Treated With ABR-215757 (Paquinimod). U.S. National Institutes of Health.
2 Prophylactic treatment with S100A9 inhibitor paquinimod reduces pathology in experimental collagenase-induced osteoarthritis. Ann Rheum Dis. 2015 Dec;74(12):2254-8.