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Compound Detail

CHEMBL5618485

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Cc1nc(N(C)c2ccc(OC(C)C)cc2)c2sccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5618485
Phase Preclinical
Structure Type MOL
InChI Key XTAKNAGZYSWLMH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
4.55
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3OS
MW 313.43
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
39197251 10.1016/j.ejmech.2024.116791 HCT-116 1
39197251 10.1016/j.ejmech.2024.116791 B16-F10 1
39197251 10.1016/j.ejmech.2024.116791 HeLa 1
39197251 10.1016/j.ejmech.2024.116791 MCF7 1
39197251 10.1016/j.ejmech.2024.116791 NCI-H23 1
39197251 10.1016/j.ejmech.2024.116791 HepG2 1

Data from ChEMBL 36 via Core Engine