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Compound Detail

CHEMBL355681

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Nc1ncc(/C=C2\CCc3ccccc3C2=O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355681
Phase Preclinical
Structure Type MOL
InChI Key ZFYFUMAODCHFDN-JXMROGBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.94
ALogP
4
HBA
1
HBD
56.0
PSA (Ų)
0.80
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 C14H12N2OS
MW 256.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
8632407 10.1021/jm950377t Aromatase 1
8632407 10.1021/jm950377t Cytochrome P450 11B2, mitochondrial 1

Data from ChEMBL 36 via Core Engine