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Compound Detail

CHEMBL3953385

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CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CO

Basic Information

ChEMBL ID CHEMBL3953385
Phase Preclinical
Structure Type MOL
InChI Key QALGNRWHDJCSGL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
3.54
ALogP
8
HBA
2
HBD
94.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O3S
MW 398.49
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.56

Activity Summary

IC50 2 meas. best 8.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.41 8.41 3.9 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.17 8.17 6.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine