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Compound Detail

CHEMBL5186359

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CCN(CC)c1nc(C(=O)c2cc(OC)c(OC)c(OC)c2)c2sccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5186359
Phase Preclinical
Structure Type MOL
InChI Key XRKQGROPKKODFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
3.79
ALogP
8
HBA
0
HBD
73.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3O4S
MW 401.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
35635956 10.1016/j.ejmech.2022.114466 HL-60 1
35635956 10.1016/j.ejmech.2022.114466 HCT-116 1
35635956 10.1016/j.ejmech.2022.114466 A549 1
35635956 10.1016/j.ejmech.2022.114466 HeLa 1

Data from ChEMBL 36 via Core Engine