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Compound Detail

CHEMBL16353

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CC(C)Sc1nnc(-c2cc(C(C)C)c(O)c(C(C)C)c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16353
Phase Preclinical
Structure Type MOL
InChI Key KFYXEADNTGPZPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
5.66
ALogP
5
HBA
1
HBD
46.0
PSA (Ų)
0.72
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 C17H24N2OS2
MW 336.53
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
10197960 10.1021/jm980570y Prostaglandin G/H synthase 2 1
10197960 10.1021/jm980570y Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine