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Compound Detail

CHEMBL295964

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Cc1cc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(O)cc3)sc2cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL295964
Phase Preclinical
Structure Type MOL
InChI Key TYWPPVCVKAZTEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

487.6
MW (Da)
6.38
ALogP
6
HBA
2
HBD
70.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H29NO4S
MW 487.62
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
9003514 10.1021/jm9606352 Rattus norvegicus 7
9003514 10.1021/jm9606352 Estrogen receptor 1
22405286 10.1016/j.ejmech.2012.02.021 Estrogen receptor 1
22405286 10.1016/j.ejmech.2012.02.021 MCF7 1

Data from ChEMBL 36 via Core Engine