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Compound Detail

CHEMBL3907995

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CCCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNCC1

Basic Information

ChEMBL ID CHEMBL3907995
Phase Preclinical
Structure Type MOL
InChI Key IGLSLLWKILRJQQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
3.84
ALogP
9
HBA
2
HBD
89.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N6O2S
MW 480.64
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.88

Activity Summary

IC50 2 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.89 8.89 1.3 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.24 8.24 5.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine