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Compound Detail

CHEMBL4207703

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O=C(NCCN1CCN(C(=O)c2ccco2)CC1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4207703
Phase Preclinical
Structure Type MOL
InChI Key DQONCKCGJOYBOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
0.86
ALogP
5
HBA
1
HBD
78.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O3
MW 328.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.14

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