Details of the Drug

General Information of Drug (ID: DMJ9XCO)

Drug Name
CCX-140
Synonyms
CCX-140-B; CCR2 receptor antagonist (inflammation/multiple sclerosis/metabolic disease), ChemoCentryx; CCR2 receptor antagonist (inflammation/multiple sclerosis/metabolic disease/chronic kidney disease), ChemoCentryx
Indication
Disease Entry ICD 11 Status REF
Diabetic nephropathy GB61.Z Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 495.9
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C20H13ClF3N5O3S
IUPAC Name
4-chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
Canonical SMILES
CC1=CC(=C(N=C1)C(=O)C2=C3C=CNC3=NC=N2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F
InChI
InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)
InChIKey
LUUMLYXKTPBTQR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25134303
ChEBI ID
CHEMBL2178573
CAS Number
1100318-47-5
UNII
380F68J5PH
DrugBank ID
DB16066
TTD ID
D06IME
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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
C-C chemokine receptor type 2 (CCR2) TTFZYTO CCR2_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800018498)
2 Present and future in the treatment of diabetic kidney disease. J Diabetes Res. 2015;2015:801348.