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
CAS Number: 1100318-47-5
DrugBank ID: DB16066
TTD ID: D06IME

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)

MIA Detail

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.