Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL10546

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2nsc3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL10546
Phase Preclinical
Structure Type MOL
InChI Key BNMQXFGPFVUGQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
3.04
ALogP
7
HBA
0
HBD
66.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O3S
MW 422.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.31

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