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Compound Detail

CHEMBL378489

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COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4)cc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL378489
Phase Preclinical
Structure Type MOL
InChI Key ATWXIAXXSMESBD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
5.17
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21N3O4S
MW 459.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.17

Activity Summary

IC50 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor alpha
CHEMBL2007
IC50 8.1 8.1 8.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 6.03 6.03 938.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16570914 10.1021/jm0506423 Platelet-derived growth factor receptor alpha 1
16570914 10.1021/jm0506423 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine