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Compound Detail

CHEMBL603542

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CCCN1CCc2cccc3c2[C@H]1Cc1c(CC=C(C)C)ccc(O)c1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL603542
Phase Preclinical
Structure Type MOL
InChI Key COGVBWFCKLEJAD-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
5.43
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.75
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29NO
MW 347.50
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.19

Literature References

PubMed DOI Target Context # Activities
20041669 10.1021/jm9015763 5-hydroxytryptamine receptor 1A 1
20041669 10.1021/jm9015763 D(1A) dopamine receptor 1
20041669 10.1021/jm9015763 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine