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Compound Detail

CHEMBL5798074

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CCCc1nnc(/C=C/c2ccc(Oc3c(-c4ccccc4C(C)C)sc4cc(O)ccc34)cc2)o1

Basic Information

ChEMBL ID CHEMBL5798074
Phase Preclinical
Structure Type MOL
InChI Key GHWAJDYUYDORMA-SFQUDFHCSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
8.70
ALogP
6
HBA
1
HBD
68.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N2O3S
MW 496.63
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.35

Activity Summary

IC50 2 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
IC50 8.48 8.2 3.3 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine