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Compound Detail

CHEMBL3774723

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N=c1sccn1CC(=O)c1cc2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3774723
Phase Preclinical
Structure Type MOL
InChI Key YPTIQFQEYRLWJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
2.66
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.73
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 C13H10N2O2S
MW 258.30
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
26860736 10.1016/j.bmcl.2016.01.061 Unchecked 3
26860736 10.1016/j.bmcl.2016.01.061 Alkaline phosphatase, placental type 2
26860736 10.1016/j.bmcl.2016.01.061 Intestinal-type alkaline phosphatase 2

Data from ChEMBL 36 via Core Engine