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Compound Detail

CHEMBL5403453

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COC(=O)c1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)CSC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403453
Phase Preclinical
Structure Type MOL
InChI Key LKWJYGQVGNICBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
4.81
ALogP
6
HBA
1
HBD
73.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N3O3S
MW 429.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.60

Literature References

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

Data from ChEMBL 36 via Core Engine