Details of the Drug

General Information of Drug (ID: DMHMST3)

Drug Name
CCX915
Synonyms
Meglitinide; 54870-28-9; Meglitinide [INN]; Meglitinidum [INN-Latin]; Meglitinido [INN-Spanish]; HB 699; UNII-8V6OK1I088; BRN 2817215; 8V6OK1I088; 4-(2-((5-Chloro-2-methoxybenzoyl)amino)ethyl)benzoic acid; 4-(2-(5-Chlor-2-methoxy-benzamido)-aethyl)benzoasaeure [German]; p-(2-(5-Chloro-o-anisamido)ethyl)benzoic acid; C17H16ClNO4; 4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]benzoic acid; Meglitinido; Meglitinidum; Benzoic acid, 4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-
Indication
Disease Entry ICD 11 Status REF
Multiple sclerosis 8A40 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 333.8
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H16ClNO4
IUPAC Name
4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]benzoic acid
Canonical SMILES
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H16ClNO4/c1-23-15-7-6-13(18)10-14(15)16(20)19-9-8-11-2-4-12(5-3-11)17(21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKey
SWLAMJPTOQZTAE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
41214
CAS Number
54870-28-9
DrugBank ID
DB05159
TTD ID
D0MT0A
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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
ATP-binding cassette transporter C9 (ABCC9) TTEF5MJ ABCC9_HUMAN Blocker [2]
C-C chemokine receptor type 2 (CCR2) TTFZYTO CCR2_HUMAN Antagonist [3]
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 800035649)
2 Analysis of the differential modulation of sulphonylurea block of beta-cell and cardiac ATP-sensitive K+ (K(ATP)) channels by Mg-nucleotides. J Physiol. 2003 Feb 15;547(Pt 1):159-68.
3 Marketed and experimental medicines for the treatment of multiple sclerosis. The Association of the British Pharmaceutical Industry. 2009.