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Compound Detail

CHEMBL3895503

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COc1cc(C)cc2cc(-c3c(COCCO)c(CN4CCNCC4)n4ncnc(N)c34)sc12

Basic Information

ChEMBL ID CHEMBL3895503
Phase Preclinical
Structure Type MOL
InChI Key CGFYKMPVFSVIHD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
2.42
ALogP
10
HBA
3
HBD
110.2
PSA (Ų)
0.33
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 C24H30N6O3S
MW 482.61
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.72

Activity Summary

IC50 2 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 9.05 9.05 0.9 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.33 8.33 4.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine