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Compound Detail

CHEMBL3931859

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COc1cc2c(cc1Cc1ccccc1)CC[C@@H]1CNCCCN21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3931859
Phase Preclinical
Structure Type MOL
InChI Key JBGWELFZOGOSPC-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.40
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.94
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 C21H26N2O
MW 322.45
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
27864071 10.1016/j.bmcl.2016.11.016 5-hydroxytryptamine receptor 2C 1
27864071 10.1016/j.bmcl.2016.11.016 5-hydroxytryptamine receptor 2B 1

Data from ChEMBL 36 via Core Engine