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Compound Detail

CHEMBL475901

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Cc1c(C2CCNCC2)ccnc1OCc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475901
Phase Preclinical
Structure Type MOL
InChI Key ZKNOUBNBCVPCGE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.8
MW (Da)
4.09
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21ClN2O
MW 316.83
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
19346128 10.1016/j.bmcl.2009.03.077 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine