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Compound Detail

CHEMBL418374

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CCCCCCCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2c1OCC(=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL418374
Phase Preclinical
Structure Type MOL
InChI Key YZVZOJQCZLMJMC-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

450.0
MW (Da)
4.64
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H36ClN3O3
MW 450.02
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00197-2 D(2) dopamine receptor 1
- 10.1016/0960-894X(95)00197-2 5-hydroxytryptamine receptor 1A 1
- 10.1016/0960-894X(95)00197-2 Serotonin 2 (5-HT2) receptor 1

Data from ChEMBL 36 via Core Engine