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Compound Detail

CHEMBL3692856

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Cc1cn(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)c2ccccc12

Basic Information

ChEMBL ID CHEMBL3692856
Phase Preclinical
Structure Type MOL
InChI Key BHHYYGHMXMUJJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
3.58
ALogP
5
HBA
1
HBD
64.2
PSA (Ų)
0.59
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 C20H18N2O3S
MW 366.44
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.90

Activity Summary

Ki 1 meas. best 9.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 9.38 9.38 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine