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Compound Detail

CHEMBL3818906

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COc1ccc(CCSCC(=O)c2noc(C(C)(C)C)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3818906
Phase Preclinical
Structure Type MOL
InChI Key UHRXMIQRNQXSAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.53
ALogP
6
HBA
0
HBD
65.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O3S
MW 334.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
27087127 10.1021/acs.jmedchem.6b00377 85/88 kDa calcium-independent phospholipase A2 2
30798607 10.1021/acs.jmedchem.8b01216 85/88 kDa calcium-independent phospholipase A2 2
27087127 10.1021/acs.jmedchem.6b00377 Cytosolic phospholipase A2 1
27087127 10.1021/acs.jmedchem.6b00377 Phospholipase A2 group V 1
30798607 10.1021/acs.jmedchem.8b01216 Cytosolic phospholipase A2 1
30798607 10.1021/acs.jmedchem.8b01216 Unchecked 1

Data from ChEMBL 36 via Core Engine