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Compound Detail

CHEMBL3911335

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COc1cc(C)cc2cc(-c3c(CNCC(C)(C)O)c(Cl)n4ncnc(N)c34)sc12

Basic Information

ChEMBL ID CHEMBL3911335
Phase Preclinical
Structure Type MOL
InChI Key UTSJXBMPHBVLAA-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.0
MW (Da)
4.02
ALogP
8
HBA
3
HBD
97.7
PSA (Ų)
0.41
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 C21H24ClN5O2S
MW 445.98
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.65

Activity Summary

IC50 4 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 9.3 8.55 0.5 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.72 8.595 1.9 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine