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Compound Detail

CHEMBL3924399

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CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNCC1

Basic Information

ChEMBL ID CHEMBL3924399
Phase Preclinical
Structure Type MOL
InChI Key QPQVFVWZSRRLKL-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
3.45
ALogP
9
HBA
2
HBD
89.9
PSA (Ų)
0.43
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 C24H30N6O2S
MW 466.61
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.86

Activity Summary

IC50 4 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 9.3 9.225 0.5 2
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.57 8.56 2.7 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine