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Compound Detail

CHEMBL3948076

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

Basic Information

ChEMBL ID CHEMBL3948076
Phase Preclinical
Structure Type MOL
InChI Key LQLFCORECOTJTQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
3.22
ALogP
8
HBA
2
HBD
80.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N6OS
MW 422.56
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.89

Activity Summary

IC50 2 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.43 8.43 3.7 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.78 7.78 16.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine