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Compound Detail

CHEMBL4162685

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CN(C)CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162685
Phase Preclinical
Structure Type MOL
InChI Key URLHCOVSCABDQW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
5.15
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24F3N3O3
MW 471.48
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.59

Activity Summary

EC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Relaxin receptor 1
CHEMBL1293316
 EC50 5.43 5.43 3740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Relaxin receptor 1 EC50 = 3740.0 nM 5.43 Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase i... 30006176

Literature References

PubMed DOI Target Context # Activities
30006176 10.1016/j.ejmech.2018.06.008 Relaxin receptor 1 2

Data from ChEMBL 36 via Core Engine