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Compound Detail

CHEMBL5176892

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COc1cc(C(=O)c2nc(C3CCCC3)nc3ccsc23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176892
Phase Preclinical
Structure Type MOL
InChI Key SDBALRJANWHKBQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
4.61
ALogP
7
HBA
0
HBD
70.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2O4S
MW 398.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.72

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