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Compound Detail

CHEMBL3969060

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COc1cc(C)cc2cc(-c3c(CNC4CCC4)c(CN4CCNCC4)n4ncnc(N)c34)sc12

Basic Information

ChEMBL ID CHEMBL3969060
Phase Preclinical
Structure Type MOL
InChI Key ULOAIOYONUSGEY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.7
MW (Da)
3.56
ALogP
9
HBA
3
HBD
92.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33N7OS
MW 491.67
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.87

Activity Summary

IC50 2 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.68 8.68 2.1 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.21 8.21 6.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine