Details of the Drug

General Information of Drug (ID: DMS2GA1)

Drug Name
Bindarit
Synonyms Bindarit, Angelini Pharmaceuticals; CCL2 inhibitor (inflammatory disorders/kidney disease), Angelini Pharmaceuticals; MCP-1 inhibitor (inflammatory disorder/kidney disease), Angelini Pharmaceuticals
Indication
Disease Entry ICD 11 Status REF
Nephritis GB40 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 324.4
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H20N2O3
IUPAC Name
2-[(1-benzylindazol-3-yl)methoxy]-2-methylpropanoic acid
Canonical SMILES
CC(C)(C(=O)O)OCC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)
InChIKey
MTHORRSSURHQPZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71354
CAS Number
130641-38-2
DrugBank ID
DB12739
TTD ID
D0XM4G
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monocyte chemotactic and activating factor (CCL2) TTNAY0P CCL2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Nephritis
ICD Disease Classification GB40
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monocyte chemotactic and activating factor (CCL2) DTT CCL2 3.76E-06 3.57 4.42
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Bindarit: an anti-inflammatory small molecule that modulates the NF B pathway. Cell Cycle. 2012 Jan 1;11(1):159-69.