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Compound Detail

CHEMBL3944881

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COc1cc(C)cc2cc(-c3c(CNCC(C)O)c(CN4CCOCC4)n4ncnc(N)c34)sc12

Basic Information

ChEMBL ID CHEMBL3944881
Phase Preclinical
Structure Type MOL
InChI Key QXCPWDLEEJRGER-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
2.81
ALogP
10
HBA
3
HBD
110.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N6O3S
MW 496.64
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.93

Activity Summary

IC50 2 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.6 8.6 2.5 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.41 8.41 3.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine