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Compound Detail

CHEMBL4763845

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COc1ccc(Nc2nc(Oc3cccc(NC(=O)/C=C/C(C)C)c3)c3sccc3n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4763845
Phase Preclinical
Structure Type MOL
InChI Key QCSKXYXNFHCBJO-VQHVLOKHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
5.78
ALogP
8
HBA
2
HBD
98.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N5O3S
MW 461.55
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
32679450 10.1016/j.ejmech.2020.112511 MCF7 1
32679450 10.1016/j.ejmech.2020.112511 HeLa 1
32679450 10.1016/j.ejmech.2020.112511 A-431 1
32679450 10.1016/j.ejmech.2020.112511 A549 1
32679450 10.1016/j.ejmech.2020.112511 L02 1

Data from ChEMBL 36 via Core Engine