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Compound Detail

CHEMBL10961

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CNCC(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL10961
Phase Preclinical
Structure Type MOL
InChI Key WXSURELOKDGQNF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

211.3
MW (Da)
3.04
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.82
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 C15H17N
MW 211.31
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
6747990 10.1021/jm00374a022 Mus musculus 5
19700330 10.1016/j.bmc.2009.08.016 5-hydroxytryptamine receptor 2A 1
19700330 10.1016/j.bmc.2009.08.016 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine