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Compound Detail

CHEMBL4795557

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COc1cc(N2CCN(C(=O)n3c4ccccc4c(=O)c4ccccc43)CC2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4795557
Phase Preclinical
Structure Type MOL
InChI Key ZTSMNZKVECUYEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
3.97
ALogP
7
HBA
0
HBD
73.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N3O5
MW 473.53
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.45

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