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Compound Detail

CHEMBL10194

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CSc1cccc(N2CCN(CCCON3C(=O)c4ccccc4C3=O)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL10194
Phase Preclinical
Structure Type MOL
InChI Key ZENCDLVFNDSOEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
3.15
ALogP
6
HBA
0
HBD
53.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O3S
MW 411.53
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.29

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 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine