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Compound Detail

CHEMBL481879

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CCCN1CCc2cccc3c2C1Cc1sc(N)nc1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL481879
Phase Preclinical
Structure Type MOL
InChI Key ZTYJNPZYYREAHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
3.26
ALogP
4
HBA
1
HBD
42.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3S
MW 285.42
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
18562201 10.1016/j.bmc.2008.05.077 5-hydroxytryptamine receptor 1A 2
18562201 10.1016/j.bmc.2008.05.077 D(1A) dopamine receptor 1
18562201 10.1016/j.bmc.2008.05.077 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine