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Compound Detail

CHEMBL4465148

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COc1cc(C(=O)c2nc(Nc3ccc(C#N)cc3)nc3ccsc23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4465148
Phase Preclinical
Structure Type MOL
InChI Key LOSZSAKGLIVXAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
4.56
ALogP
9
HBA
1
HBD
106.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N4O4S
MW 446.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
31541870 10.1016/j.ejmech.2019.111679 HL-60 1
31541870 10.1016/j.ejmech.2019.111679 HCT-116 1
31541870 10.1016/j.ejmech.2019.111679 A549 1
31541870 10.1016/j.ejmech.2019.111679 MCF7 1
31541870 10.1016/j.ejmech.2019.111679 HeLa 1

Data from ChEMBL 36 via Core Engine