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Compound Detail

CHEMBL119384

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Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(Cc1ccccc1)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL119384
Phase Preclinical
Structure Type MOL
InChI Key JYDCTFIFEUMCFH-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
4.71
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21NO
MW 327.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
8784448 10.1021/jm960189i 5-hydroxytryptamine receptor 1A 1
8784448 10.1021/jm960189i D(1A) dopamine receptor 1
8784448 10.1021/jm960189i D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine