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Compound Detail

CHEMBL5875922

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CNc1cc(C(=O)N2CCCC(c3ccc(OC)cc3C)C2)cnn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5875922
Phase Preclinical
Structure Type MOL
InChI Key QGIUSHINAOXCBF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.86
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N4O2
MW 340.43
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prokineticin receptor 1
CHEMBL5649
 IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prokineticin receptor 1 IC50 = 130.0 nM 6.89 Biological Assay: Prokineticin receptor 1 (PKR1) antagonists may be functionally... -

Data from ChEMBL 36 via Core Engine