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Compound Detail

CHEMBL3919371

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COc1cc(C)cc2cc(-c3c(CO)c(C)n4ncnc(N)c34)sc12

Basic Information

ChEMBL ID CHEMBL3919371
Phase Preclinical
Structure Type MOL
InChI Key YFCQTEWBNUGUFK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.31
ALogP
7
HBA
2
HBD
85.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O2S
MW 354.44
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.59

Activity Summary

IC50 2 meas. best 8.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.39 8.39 4.1 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.7 7.7 19.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine