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Compound Detail

CHEMBL166974

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O=C1/C(=C/c2ccsc2)CCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166974
Phase Preclinical
Structure Type MOL
InChI Key JCQSAWCIZPUUBS-UKTHLTGXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
3.96
ALogP
2
HBA
0
HBD
17.1
PSA (Ų)
0.69
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 C15H12OS
MW 240.33
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
8632407 10.1021/jm950377t Aromatase 1
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