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Compound Detail

CHEMBL217964

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COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3cccc(F)n3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL217964
Phase Preclinical
Structure Type MOL
InChI Key VUBGTPVVYQBGQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
4.23
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31FN4O2
MW 462.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
17266201 10.1021/jm0611152 Dopamine receptors; D2 & D3 1
17266201 10.1021/jm0611152 Dopamine receptors; D3 & D4 1

Data from ChEMBL 36 via Core Engine