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Compound Detail

CHEMBL3937124

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

Basic Information

ChEMBL ID CHEMBL3937124
Phase Preclinical
Structure Type MOL
InChI Key KXKRDLMFFZNYPD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.0
MW (Da)
3.10
ALogP
8
HBA
2
HBD
97.8
PSA (Ų)
0.49
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 C21H21ClN6O2S
MW 456.96
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.04

Activity Summary

IC50 2 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 9.7 9.7 0.2 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.89 8.89 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine