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Compound Detail

CHEMBL26700

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c1ccc2oc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26700
Phase Preclinical
Structure Type MOL
InChI Key KSTPQTROCLTJMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
2.88
ALogP
6
HBA
0
HBD
51.0
PSA (Ų)
0.73
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 C19H19N3O3
MW 337.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
8176710 10.1021/jm00035a012 Rattus norvegicus 2
8176710 10.1021/jm00035a012 Cavia porcellus 1
8176710 10.1021/jm00035a012 Serotonin 3 (5-HT3) receptor 1
8176710 10.1021/jm00035a012 Serotonin 1 (5-HT1) receptor 1
8176710 10.1021/jm00035a012 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine