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Compound Detail

CHEMBL5422275

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COc1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)CSC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422275
Phase Preclinical
Structure Type MOL
InChI Key PPQNZCXDOCDZSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
5.03
ALogP
5
HBA
1
HBD
56.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N3O2S
MW 401.49
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
36702053 10.1016/j.ejmech.2023.115130 Autotaxin 2

Data from ChEMBL 36 via Core Engine