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Compound Detail

CHEMBL110247

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C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110247
Phase Preclinical
Structure Type MOL
InChI Key QDBZAAWPKCEIBY-HDICACEKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.5
MW (Da)
4.21
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.71
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 C22H29N3
MW 335.50
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
11543687 10.1021/jm010146o D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine