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Compound Detail

CHEMBL4069354

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O=C(c1nnn(-c2cccc3ccccc23)n1)N1CCC(CO)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4069354
Phase Preclinical
Structure Type MOL
InChI Key RODMMJICQSCKCM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
1.66
ALogP
6
HBA
1
HBD
84.1
PSA (Ų)
0.79
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 C18H19N5O2
MW 337.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
28635286 10.1021/acs.jmedchem.7b00385 5-hydroxytryptamine receptor 2C 2
28635286 10.1021/acs.jmedchem.7b00385 5-hydroxytryptamine receptor 2A 1
28635286 10.1021/acs.jmedchem.7b00385 5-hydroxytryptamine receptor 2B 1

Data from ChEMBL 36 via Core Engine