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Compound Detail

CHEMBL6064264

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Cc1cc(C(=O)N2CCCC(c3ccc(Cl)cc3C)C2)ccn1

Basic Information

ChEMBL ID CHEMBL6064264
Phase Preclinical
Structure Type MOL
InChI Key OXAUGHUQDZXXOB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
4.37
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21ClN2O
MW 328.84
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prokineticin receptor 1
CHEMBL5649
IC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prokineticin receptor 1 IC50 = 450.0 nM 6.35 Biological Assay: Prokineticin receptor 1 (PKR1) antagonists may be functionally... -

Data from ChEMBL 36 via Core Engine