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Compound Detail

CHEMBL306699

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CNCCc1c(C)cc(C(C)(C)C)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306699
Phase Preclinical
Structure Type MOL
InChI Key YSRCUCIAZSUCOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

219.4
MW (Da)
3.36
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N
MW 219.37
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
9632357 10.1021/jm970513p 5-hydroxytryptamine receptor 1B 1
9632357 10.1021/jm970513p 5-hydroxytryptamine receptor 1D 1

Data from ChEMBL 36 via Core Engine