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Compound Detail

CHEMBL3192559

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CCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c(OC)ccc(OC)c21

Basic Information

ChEMBL ID CHEMBL3192559
Phase Preclinical
Structure Type MOL
InChI Key IFVRGRIEVUNDOU-FCQUAONHSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
3.13
ALogP
7
HBA
0
HBD
90.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O5S
MW 439.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.59

Activity Summary

EC50 1 meas. best 5.1
IC50 1 meas. best 4.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
EC50 5.1 5.1 7935.1 1
Eukaryotic translation initiation factor 4H
CHEMBL1293274
IC50 4.83 4.83 14680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine