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Compound Detail

CHEMBL3716714

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O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3716714
Phase Preclinical
Structure Type MOL
InChI Key PVWASZAUCMLNNR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
5.15
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.72
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23F3N2O2
MW 404.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.80

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