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Compound Detail

CHEMBL5943435

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Cc1cccc(NC(=O)Nc2ccc3sc(-c4cc(C(=O)O)cnc4N)cc3c2)c1

Basic Information

ChEMBL ID CHEMBL5943435
Phase Preclinical
Structure Type MOL
InChI Key TXXDAZXASGFEBC-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
5.20
ALogP
5
HBA
4
HBD
117.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N4O3S
MW 418.48
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.36

Activity Summary

IC50 6 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 6.92 6.5533 120.0 3
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.92 6.7367 120.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine