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Compound Detail

CHEMBL4755843

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COc1cccc(N2CCN(C(=O)n3c4ccc(C#N)cc4c(=O)c4cc(OC)ccc43)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4755843
Phase Preclinical
Structure Type MOL
InChI Key YWPLMCBVJPJUQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
3.83
ALogP
7
HBA
0
HBD
87.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N4O4
MW 468.51
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
33212157 10.1016/j.bmcl.2020.127687 K562 1
33212157 10.1016/j.bmcl.2020.127687 Unchecked 1

Data from ChEMBL 36 via Core Engine