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Compound Detail

CHEMBL279753

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CC(=O)Nc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ns1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL279753
Phase Preclinical
Structure Type MOL
InChI Key BDFXNDXONAOLHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
4.46
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N3O2S
MW 347.48
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.03

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