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Compound Detail

CHEMBL190208

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COc1ccc2c(=O)c(-c3ccccc3)c(Sc3nnc[nH]3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190208
Phase Preclinical
Structure Type MOL
InChI Key DUEZKGURISZNGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.74
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13N3O3S
MW 351.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
15911319 10.1016/j.bmc.2005.03.050 Aromatase 1
19072235 10.1021/jm800945c Aromatase 1

Data from ChEMBL 36 via Core Engine