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Compound Detail

CHEMBL3892887

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COCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNCC1

Basic Information

ChEMBL ID CHEMBL3892887
Phase Preclinical
Structure Type MOL
InChI Key KBUPLPBZRGPNCS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
3.06
ALogP
9
HBA
2
HBD
89.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N6O2S
MW 452.58
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.84

Activity Summary

IC50 2 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 9.05 9.05 0.9 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.48 8.48 3.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine