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Compound Detail

CHEMBL535640

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Cl.Cn1cc(C(=O)O)nc1Cc1cc(Cl)ccc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL535640
Phase Preclinical
Structure Type MOL
InChI Key AZHICMOGLPWZKX-UHFFFAOYSA-N
Parent Compound CHEMBL1188223
Active Moiety CHEMBL1188223
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.8
MW (Da)
3.94
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18Cl2N2O3
MW 393.27
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP1 subtype
CHEMBL1811
 IC50 6.5 6.5 316.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin E2 receptor EP1 subtype IC50 = 316.23 nM 6.5 Displacement of [3H]PGE2 from EP1 receptor 18262416

Literature References

PubMed DOI Target Context # Activities
18262416 10.1016/j.bmcl.2008.01.071 Prostaglandin E2 receptor EP1 subtype 1
18262416 10.1016/j.bmcl.2008.01.071 No relevant target 1

Data from ChEMBL 36 via Core Engine