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Compound Detail

CHEMBL5754533

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CNc1cc(C(=O)N2CCCC(c3ccccc3C(F)(F)F)C2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5754533
Phase Preclinical
Structure Type MOL
InChI Key GEFRPRVZPYVTIO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
4.16
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20F3N3O
MW 363.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prokineticin receptor 1
CHEMBL5649
 IC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prokineticin receptor 1 IC50 = 230.0 nM 6.64 Biological Assay: Prokineticin receptor 1 (PKR1) antagonists may be functionally... -

Data from ChEMBL 36 via Core Engine