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Compound Detail

CHEMBL5200116

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COc1cc(C(=O)c2nc(N3CCN(C)CC3)nc3ccsc23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5200116
Phase Preclinical
Structure Type MOL
InChI Key XEAXUTGIDSQDME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
2.70
ALogP
9
HBA
0
HBD
77.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N4O4S
MW 428.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.06

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