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Compound Detail

CHEMBL3938826

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

Basic Information

ChEMBL ID CHEMBL3938826
Phase Preclinical
Structure Type MOL
InChI Key OOIYXPLQGGEDGS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.6
MW (Da)
2.61
ALogP
11
HBA
2
HBD
116.2
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N6O4S
MW 510.62
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.82

Activity Summary

IC50 2 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.82 8.82 1.5 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.88 7.88 13.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine