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Compound Detail

CHEMBL5410920

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CC(C)(C)n1nc2c(c1NC(=O)c1cccc3ccccc13)CSC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5410920
Phase Preclinical
Structure Type MOL
InChI Key IYLSFIMFBCQLLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
4.79
ALogP
4
HBA
1
HBD
46.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3OS
MW 351.48
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.73

Literature References

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

Data from ChEMBL 36 via Core Engine