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Compound Detail

CHEMBL81623

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CCCN1CCC(C2CCCCC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL81623
Phase Preclinical
Structure Type MOL
InChI Key UMDPCWOWMSWVNT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

195.3
MW (Da)
3.30
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H25N
MW 195.35
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00618-X Rattus norvegicus 7
- 10.1016/S0960-894X(96)00618-X 5-hydroxytryptamine receptor 1A 1
- 10.1016/S0960-894X(96)00618-X Serotonin 2 (5-HT2) receptor 1
- 10.1016/S0960-894X(96)00618-X D(2) dopamine receptor 1
- 10.1016/S0960-894X(96)00618-X D(3) dopamine receptor 1
- 10.1016/S0960-894X(96)00618-X No relevant target 1

Data from ChEMBL 36 via Core Engine