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Compound Detail

CHEMBL4853006

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CNC(=O)c1cc(Oc2ccc(NC(=O)c3n[nH]nc3-c3ccc(F)cc3)cc2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4853006
Phase Preclinical
Structure Type MOL
InChI Key OSSBWAGCUKRTSW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
3.41
ALogP
6
HBA
3
HBD
121.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17FN6O3
MW 432.42
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 7.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homeodomain-interacting protein kinase 4
CHEMBL1075167
 IC50 7.31 7.31 49.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homeodomain-interacting protein kinase 4 IC50 = 49.0 nM 7.31 Inhibition of HIPK4 (unknown origin) -

Data from ChEMBL 36 via Core Engine