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Compound Detail

CHEMBL358666

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Cc1sc2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)n2c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL358666
Phase Preclinical
Structure Type MOL
InChI Key IXDYSKINGJDHDH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.75
ALogP
5
HBA
0
HBD
51.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O2S2
MW 382.51
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00580-X Prostaglandin G/H synthase 1 1
- 10.1016/S0960-894X(96)00580-X Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine