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Compound Detail

CHEMBL146448

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O=C1NCCN1CCN1CCC(S(=O)(=O)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL146448
Phase Preclinical
Structure Type MOL
InChI Key CCFCIFUXOWLDJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
0.95
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.87
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 C16H23N3O3S
MW 337.44
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
11784153 10.1021/jm011030v 5-hydroxytryptamine receptor 2A 2
11784153 10.1021/jm011030v D(2) dopamine receptor 1
11784153 10.1021/jm011030v 5-hydroxytryptamine receptor 2C 1
11784153 10.1021/jm011030v Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine