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Compound Detail

CHEMBL3929446

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CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2CCCCCCC(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL3929446
Phase Preclinical
Structure Type MOL
InChI Key SLJMALBBLCTSGB-KRWDZBQOSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.5
MW (Da)
4.90
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31NO3
MW 345.48
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.15

Activity Summary

EC50 6 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
EC50 6.26 5.82 548.0 4
Prostaglandin E2 receptor EP3 subtype
CHEMBL3710
EC50 4.71 4.71 19544.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine