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Compound Detail

CHEMBL22469

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CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL22469
Phase Preclinical
Structure Type MOL
InChI Key BKZJUXQQYKNDDO-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

337.9
MW (Da)
2.38
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24ClN3O2
MW 337.85
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.35

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