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Compound Detail

CHEMBL1946256

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Clc1ccc(N2CCCN(Cc3nc4ccccc4s3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1946256
Phase Preclinical
Structure Type MOL
InChI Key ANQFIBHZMVNJLK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

357.9
MW (Da)
4.66
ALogP
4
HBA
0
HBD
19.4
PSA (Ų)
0.68
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 C19H20ClN3S
MW 357.91
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.45

Literature References

PubMed DOI Target Context # Activities
22336245 10.1016/j.bmc.2012.01.022 D(3) dopamine receptor 1
22336245 10.1016/j.bmc.2012.01.022 D(2) dopamine receptor 1
22336245 10.1016/j.bmc.2012.01.022 5-hydroxytryptamine receptor 2C 1
22336245 10.1016/j.bmc.2012.01.022 5-hydroxytryptamine receptor 2A 1
22336245 10.1016/j.bmc.2012.01.022 5-hydroxytryptamine receptor 1A 1
22336245 10.1016/j.bmc.2012.01.022 Histamine H1 receptor 1
22336245 10.1016/j.bmc.2012.01.022 D(4) dopamine receptor 1

Data from ChEMBL 36 via Core Engine