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Compound Detail

CHEMBL4206752

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COc1ccc(N2CCN(CCCNC(=O)c3ccccn3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4206752
Phase Preclinical
Structure Type MOL
InChI Key HPTPMNWVCYHBAP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
2.03
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N4O2
MW 354.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
28943244 10.1016/j.bmc.2017.09.018 5-hydroxytryptamine receptor 1A 1
28943244 10.1016/j.bmc.2017.09.018 5-hydroxytryptamine receptor 2A 1
28943244 10.1016/j.bmc.2017.09.018 5-hydroxytryptamine receptor 2C 1

Data from ChEMBL 36 via Core Engine