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Compound Detail

CHEMBL146545

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O=C(CCCSc1nc2ccccc2[nH]1)c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL146545
Phase Preclinical
Structure Type MOL
InChI Key YOBCSGZVVJALOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.73
ALogP
5
HBA
3
HBD
86.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O3S
MW 328.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
9857085 10.1021/jm9810304 Glucagon receptor 1

Data from ChEMBL 36 via Core Engine