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Compound Detail

CHEMBL4855209

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CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(SC)oc3-c3ccc(F)cc3)cc2F)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4855209
Phase Preclinical
Structure Type MOL
InChI Key OKAXFYVYYCUZJW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.5
MW (Da)
5.14
ALogP
7
HBA
2
HBD
106.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18F2N4O4S
MW 496.50
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homeodomain-interacting protein kinase 4
CHEMBL1075167
 IC50 8.55 8.55 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homeodomain-interacting protein kinase 4 IC50 = 2.8 nM 8.55 Inhibition of HIPK4 (unknown origin) -

Data from ChEMBL 36 via Core Engine