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Compound Detail

CHEMBL603527

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O=C1NC2CNCCN2c2c(Cl)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL603527
Phase Preclinical
Structure Type MOL
InChI Key JWBQIOLFSHCCDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

237.7
MW (Da)
0.82
ALogP
3
HBA
2
HBD
44.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12ClN3O
MW 237.69
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
20022752 10.1016/j.bmcl.2009.12.014 5-hydroxytryptamine receptor 2C 3
20022752 10.1016/j.bmcl.2009.12.014 5-hydroxytryptamine receptor 2A 2
20022752 10.1016/j.bmcl.2009.12.014 5-hydroxytryptamine receptor 2B 2

Data from ChEMBL 36 via Core Engine