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Compound Detail

CHEMBL321970

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COc1ccc2c(c1)n(C(=O)NCCN1CCN(C)CC1)c(=O)n2C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321970
Phase Preclinical
Structure Type MOL
InChI Key WXYPOBXVSNEVOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
1.20
ALogP
7
HBA
1
HBD
71.7
PSA (Ų)
0.85
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 C19H29N5O3
MW 375.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
10425096 10.1021/jm981098j 5-hydroxytryptamine receptor 4 3
10425096 10.1021/jm981098j Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine