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Compound Detail

CHEMBL6026169

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CN(C)c1cc(C(=O)N2CCCC(c3ccc(Cl)cc3C(F)(F)F)C2)cnn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6026169
Phase Preclinical
Structure Type MOL
InChI Key MEHMZLNGTAAOQN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.8
MW (Da)
4.23
ALogP
4
HBA
0
HBD
49.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClF3N4O
MW 412.84
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prokineticin receptor 1
CHEMBL5649
 IC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prokineticin receptor 1 IC50 = 110.0 nM 6.96 Biological Assay: Prokineticin receptor 1 (PKR1) antagonists may be functionally... -

Data from ChEMBL 36 via Core Engine