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Compound Detail

CHEMBL3718363

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O=C(Nc1cccc(F)c1)c1ccccc1NC(=O)C1CCCCC1

Basic Information

ChEMBL ID CHEMBL3718363
Phase Preclinical
Structure Type MOL
InChI Key WEINUQXTFVPWAY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
4.60
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21FN2O2
MW 340.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.92

Activity Summary

EC50 1 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Relaxin receptor 1
CHEMBL1293316
EC50 4.88 4.88 13300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Relaxin receptor 1 EC50 = 13300.0 nM 4.88 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