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Compound Detail

CHEMBL76495

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c1ccc2nc(N3CCCCC3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76495
Phase Preclinical
Structure Type MOL
InChI Key JWKIBLYWKJBSQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

212.3
MW (Da)
3.23
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2
MW 212.30
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
8831767 10.1021/jm9603936 Serotonin 3 (5-HT3) receptor 1
3783595 10.1021/jm00161a038 Unchecked 1
3783595 10.1021/jm00161a038 Serotonin 2 (5-HT2) receptor 1
21215643 10.1016/j.bmc.2010.11.059 Cannabinoid receptor 2 1
21215643 10.1016/j.bmc.2010.11.059 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine