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Compound Detail

CHEMBL505877

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CCSC[C@@H]1C[C@](C)(O)C[C@H](c2ccc(Cl)cc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL505877
Phase Preclinical
Structure Type MOL
InChI Key NBAVADMYANAFPV-ZNMIVQPWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.9
MW (Da)
4.06
ALogP
3
HBA
1
HBD
29.5
PSA (Ų)
0.91
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 C15H21ClO2S
MW 300.85
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
18835505 10.1016/j.ejmech.2008.08.008 Prostaglandin G/H synthase 2 3
18835505 10.1016/j.ejmech.2008.08.008 Prostaglandin G/H synthase 1 2

Data from ChEMBL 36 via Core Engine