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Compound Detail

CHEMBL4855300

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COc1cccc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4855300
Phase Preclinical
Structure Type MOL
InChI Key LKHCOIKMVXXYHC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
2.11
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O3
MW 365.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
33839253 10.1016/j.bmcl.2021.128028 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine