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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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

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]

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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 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.