Details of the Drug

General Information of Drug (ID: DMQBULC)

Drug Name

CV 6209

Synonyms

CHEMBL274420; CV6209; GTPL1852; AC1L32P4; SCHEMBL8538219; CHEMBL1180101; PDSP1_000728; PDSP1_000727; PDSP2_000718; PDSP2_000717; BDBM50005232; 2-(2-Acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacosan-1-yl)-1-ethylpyridinium; 2-{[Acetyl-(2-methoxy-3-octadecylcarbamoyloxy-propoxycarbonyl)-amino]-methyl}-1-ethyl-pyridinium; [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

642.3

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

27

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C34H60ClN3O6
IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate;chloride
Canonical SMILES: CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C)OC.[Cl-]
InChI: InChI=1S/C34H59N3O6.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2;/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3;1H
InChIKey: APUCCVGQZPNXIO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 107756
CAS Number: 100488-87-7
TTD ID: D05CEK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-activating factor receptor (PTAFR)	TTQL5VC	PTAFR_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Asthma

ICD Disease Classification

CA23

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Platelet-activating factor receptor (PTAFR)	DTT	PTAFR	3.53E-02	0.33	2.12

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1852).
2	CV-6209, a highly potent antagonist of platelet activating factor in vitro and in vivo. J Pharmacol Exp Ther. 1987 Jul;242(1):263-8.