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Compound Detail

CHEMBL362906

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COc1ccc2c(=O)c(-c3ccccc3)c(SCc3ccccn3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL362906
Phase Preclinical
Structure Type MOL
InChI Key MVPLJKMXTYYBCB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
5.16
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17NO3S
MW 375.45
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
15267241 10.1021/jm0306024 Aromatase 1
19072235 10.1021/jm800945c Aromatase 1

Data from ChEMBL 36 via Core Engine