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Compound Detail

CHEMBL110754

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C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110754
Phase Preclinical
Structure Type MOL
InChI Key CJLMHMFDXCFFRR-PLQXJYEYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
6.21
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H37N3
MW 439.65
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.67

Literature References

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

Data from ChEMBL 36 via Core Engine