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Compound Detail

CHEMBL433728

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c1ccc2c(c1)CCC1C(c3ccsc3)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433728
Phase Preclinical
Structure Type MOL
InChI Key LFQRCKYTAFAFTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
4.19
ALogP
1
HBA
0
HBD
0.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14S
MW 226.34
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
8632407 10.1021/jm950377t Aromatase 2
8632407 10.1021/jm950377t Steroid 17-alpha-hydroxylase/17,20 lyase 1
8632407 10.1021/jm950377t Cytochrome P450 11B2, mitochondrial 1

Data from ChEMBL 36 via Core Engine