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Compound Detail

CHEMBL10658

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O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL10658
Phase Preclinical
Structure Type MOL
InChI Key NZLUWSOLFYRHOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
1.78
ALogP
7
HBA
0
HBD
99.6
PSA (Ų)
0.47
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 C23H30N4O5S
MW 474.58
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
1672156 10.1021/jm00107a028 Mus musculus 1
1672156 10.1021/jm00107a028 5-hydroxytryptamine receptor 1A 1
1672156 10.1021/jm00107a028 Serotonin 2 (5-HT2) receptor 1
1672156 10.1021/jm00107a028 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine