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Compound Detail

CHEMBL3397610

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O=S1(=O)COc2cc(-c3cncc4ccccc34)ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397610
Phase Preclinical
Structure Type MOL
InChI Key NYHVOAGVMHDDOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
2.99
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.75
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 C16H12N2O3S
MW 312.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
25528333 10.1016/j.ejmech.2014.12.022 Cytochrome P450 11B2, mitochondrial 3
25528333 10.1016/j.ejmech.2014.12.022 Cytochrome P450 11B1, mitochondrial 1
25528333 10.1016/j.ejmech.2014.12.022 Unchecked 1

Data from ChEMBL 36 via Core Engine