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Compound Detail

CHEMBL5885972

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CCc1cc(C(=O)N2CCCC(c3ccc(Cl)cc3C)C2)ccn1

Basic Information

ChEMBL ID CHEMBL5885972
Phase Preclinical
Structure Type MOL
InChI Key JBWGZRCIVSDDAL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.9
MW (Da)
4.63
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClN2O
MW 342.87
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prokineticin receptor 1
CHEMBL5649
IC50 7.16 7.16 70.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prokineticin receptor 1 IC50 = 70.0 nM 7.16 Biological Assay: Prokineticin receptor 1 (PKR1) antagonists may be functionally... -

Data from ChEMBL 36 via Core Engine