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Compound Detail

CHEMBL5280334

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CC(C)CNc1cccc(NCc2csc(-c3ccccc3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5280334
Phase Preclinical
Structure Type MOL
InChI Key AJDVLGWBKFTJLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
5.49
ALogP
4
HBA
2
HBD
37.0
PSA (Ų)
0.60
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3S
MW 337.49
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
36332551 10.1016/j.ejmech.2022.114874 U-251 1
36332551 10.1016/j.ejmech.2022.114874 Unchecked 1

Data from ChEMBL 36 via Core Engine