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Compound Detail

CHEMBL5407110

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Cc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)c3ccsc3n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407110
Phase Preclinical
Structure Type MOL
InChI Key ZASWCDHRLXPGBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.9
MW (Da)
4.89
ALogP
6
HBA
1
HBD
55.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClN5S
MW 355.85
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -2.76

Literature References

PubMed DOI Target Context # Activities
37068385 10.1016/j.ejmech.2023.115353 Unchecked 1

Data from ChEMBL 36 via Core Engine