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Compound Detail

CHEMBL3984301

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COCCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNCC1

Basic Information

ChEMBL ID CHEMBL3984301
Phase Preclinical
Structure Type MOL
InChI Key PBYKDTVBNNMWRF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
3.08
ALogP
10
HBA
2
HBD
99.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N6O3S
MW 496.64
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.92

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 8.01 8.01 9.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine