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Compound Detail

CHEMBL3943773

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COc1cc(C)cc2cc(-c3c(CN4CCNC(=O)C4)c(C)n4ncnc(N)c34)sc12

Basic Information

ChEMBL ID CHEMBL3943773
Phase Preclinical
Structure Type MOL
InChI Key MQABPWIBJWWDIM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
2.75
ALogP
8
HBA
2
HBD
97.8
PSA (Ų)
0.51
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 C22H24N6O2S
MW 436.54
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.06

Activity Summary

IC50 2 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.85 8.85 1.4 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.55 8.55 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine