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Compound Detail

CHEMBL4595426

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O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2cccnc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595426
Phase Preclinical
Structure Type MOL
InChI Key DGHBSNTYQIBEMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
4.03
ALogP
6
HBA
2
HBD
112.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N4O4S
MW 488.57
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.43

Activity Summary

Ki 1 meas. best 8.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
 Ki 8.42 8.42 3.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin E2 receptor EP2 subtype Ki = 3.8 nM 8.42 Binding Assay: Measurement of EP2 receptor binding action was performed in accor... -

Data from ChEMBL 36 via Core Engine