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Compound Detail

CHEMBL274420

CV-6209
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CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CC)C(C)=O)OC.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274420
Name CV-6209
Phase Preclinical
Structure Type MOL
InChI Key APUCCVGQZPNXIO-UHFFFAOYSA-N
Parent Compound CHEMBL1180101
Active Moiety CHEMBL1180101
3
Targets
10
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

606.9
MW (Da)
7.48
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H60ClN3O6
MW 642.32
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness -0.01

Activity Summary

IC50 8 meas. best 7.92
Ki 2 meas. best 8.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 Ki 8.14 8.14 7.2 2
Oryctolagus cuniculus
CHEMBL374
 IC50 7.92 7.92 12.0 1
Platelet-activating factor receptor
CHEMBL5136
 IC50 7.92 7.53 12.0 6
Cavia porcellus
CHEMBL369
 IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor Ki = 7.2 nM 8.14 In vitro ability to displace [3H]PAF from PAF receptor in rabbit platelet membra... -
Platelet-activating factor receptor Ki = 7.2 nM 8.14 Ability to displace [3H]PAF from its Platelet Activating Factor (PAF) receptor i... -
Oryctolagus cuniculus IC50 = 12.0 nM 7.92 In vitro inhibition of platelet aggregation (rabbit) induced by PAF 1956051
Platelet-activating factor receptor IC50 = 12.0 nM 7.92 Inhibitory activity expressed as the concentration required to inhibit platelet-... 1992139
Platelet-activating factor receptor IC50 = 12.0 nM 7.92 In vitro inhibition of PAF induced aggregation of rabbit platelets. 1542094
Platelet-activating factor receptor IC50 = 20.0 nM 7.7 Inhibition of PAF-induced platelet aggregation in rabbit platelet rich plasma 8496938
Platelet-activating factor receptor IC50 = 55.0 nM 7.26 In vitro inhibitory activity against PAF-induced aggregation of rabbit platelets -
Cavia porcellus IC50 = 55.0 nM 7.26 In vivo inhibitory activity against platelet aggregation in guinea pigs -
Platelet-activating factor receptor IC50 = 55.0 nM 7.26 In vitro inhibitory activity against PAF-induced aggregation of rabbit platelets... -
Platelet-activating factor receptor IC50 = 75.0 nM 7.12 Inhibition of rabbit platelet aggregation induced by platelet activating factor ... 2909744

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00174-R Mus musculus 9
1542094 10.1021/jm00082a007 Mus musculus 8
- 10.1016/0960-894X(95)00174-R Cavia porcellus 3
2909744 10.1021/jm00121a012 Rattus norvegicus 3
- 10.1016/0960-894X(95)00174-R Platelet-activating factor receptor 2
- 10.1016/0960-894X(95)00174-R Rattus norvegicus 2
- 10.1016/0960-894X(95)00173-Q Platelet-activating factor receptor 2
2909744 10.1021/jm00121a012 Mus musculus 2
1992139 10.1021/jm00105a058 Platelet-activating factor receptor 2
1542094 10.1021/jm00082a007 Platelet-activating factor receptor 2
1956051 10.1021/jm00115a025 Oryctolagus cuniculus 1
1956051 10.1021/jm00115a025 Rattus norvegicus 1
8496938 10.1021/jm00057a008 Platelet-activating factor receptor 1
2909744 10.1021/jm00121a012 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine