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Compound Detail

CHEMBL90509

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COc1ccccc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL90509
Phase Preclinical
Structure Type MOL
InChI Key WWUMBYUDWCLUIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
1.72
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N3O4
MW 359.43
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00503-3 5-hydroxytryptamine receptor 2A 1
- 10.1016/S0960-894X(96)00503-3 5-hydroxytryptamine receptor 2B 1
- 10.1016/S0960-894X(96)00503-3 5-hydroxytryptamine receptor 2C 1

Data from ChEMBL 36 via Core Engine