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Compound Detail

CHEMBL4860440

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COc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCCCN2CCN(C)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4860440
Phase Preclinical
Structure Type MOL
InChI Key SXESCYKMYJEAQW-MUUNZHRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

497.7
MW (Da)
6.22
ALogP
4
HBA
0
HBD
18.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H43N3O
MW 497.73
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
33756124 10.1016/j.ejmech.2021.113381 Unchecked 2
33756124 10.1016/j.ejmech.2021.113381 MDCK 1

Data from ChEMBL 36 via Core Engine