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Compound Detail

CHEMBL1093911

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CS(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1093911
Phase Preclinical
Structure Type MOL
InChI Key MEDVXXBQDLZPRM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
3.71
ALogP
6
HBA
1
HBD
90.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N3O4S
MW 477.59
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.22

Activity Summary

Ki 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP3 subtype
CHEMBL4336
 Ki 7.66 7.66 22.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin E2 receptor EP3 subtype Ki = 22.0 nM 7.66 Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60... 20346663

Literature References

PubMed DOI Target Context # Activities
20346663 10.1016/j.bmcl.2010.02.034 Prostaglandin E2 receptor EP3 subtype 2

Data from ChEMBL 36 via Core Engine