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Compound Detail

CHEMBL311378

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CCCN1CCC(c2cccnc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311378
Phase Preclinical
Structure Type MOL
InChI Key UIWBBOCIFDQWIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

190.3
MW (Da)
2.28
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.73
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 C12H18N2
MW 190.29
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.53

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