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
ChEBI ID
CHEMBL2107549
CAS Number
130641-38-2
UNII
JQ11LH711M
DrugBank ID
DB12739
TTD ID
D0XM4G
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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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.