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Compound Detail

CHEMBL147206

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NCCc1c[nH]c2ccc(OCC(=O)N3CCNCC3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL147206
Phase Preclinical
Structure Type MOL
InChI Key LOMRCCDOEXSAMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
0.48
ALogP
4
HBA
3
HBD
83.4
PSA (Ų)
0.75
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 C16H22N4O2
MW 302.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
8960551 10.1021/jm960552l 5-hydroxytryptamine receptor 1D 1
8960551 10.1021/jm960552l 5-hydroxytryptamine receptor 1B 1
8960551 10.1021/jm960552l 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine