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

CHEMBL3652596

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
Cn1ncc(Cl)c1-c1cc(NC(=O)C(=O)c2cc(Br)cs2)ccc1OCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3652596
Phase Preclinical
Structure Type MOL
InChI Key ACVPBIAKHSWASO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.8
MW (Da)
3.72
ALogP
7
HBA
2
HBD
99.2
PSA (Ų)
0.39
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 C18H16BrClN4O3S
MW 483.78
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.48

Activity Summary

IC50 2 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL224
 IC50 8.92 8.92 1.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2A IC50 = 1.2 nM 8.92 Radioligand Binding Assays : Radioligand binding assays for human 5-HT2A recepto... -
5-hydroxytryptamine receptor 2A IC50 = 1.2 nM 8.92 Radioligand Binding Assays : Radioligand binding assays for human 5-HT2A recepto... -

Data from ChEMBL 36 via Core Engine