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

CHEMBL106939

DASB
Phase I
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
Phase I
CN(C)Cc1ccccc1Sc1ccc(C#N)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106939
Name DASB
Phase Phase I
Structure Type MOL
InChI Key UVWLEPXXYOYDGR-UHFFFAOYSA-N

Known Names

Dasb
4
Targets
7
Activities
1
Assay Types
1
PK Parameters
13
Publications
1
Known Names

Molecular Properties

283.4
MW (Da)
3.35
ALogP
4
HBA
1
HBD
53.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C16H17N3S
MW 283.40
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.33

Activity Summary

Ki 7 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium-dependent serotonin transporter
CHEMBL228
 Ki 8.96 8.9567 1.1 3
Sodium-dependent serotonin transporter
CHEMBL313
 Ki 8.96 8.96 1.1 1
Sodium-dependent noradrenaline transporter
CHEMBL222
 Ki 5.87 5.58 1350.0 2
Sodium-dependent dopamine transporter
CHEMBL238
 Ki 5.85 5.85 1423.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.26 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium-dependent serotonin transporter Ki = 1.1 nM 8.96 In vitro binding affinity on cloned Serotonin transporter 10956218
Sodium-dependent serotonin transporter Ki = 1.1 nM 8.96 In vitro binding affinity in LLC-PK1 cells by SERT binding assay by using [125I]... 12361398
Sodium-dependent serotonin transporter Ki = 1.1 nM 8.96 Binding affinity for serotonin transporter expressed in LCK PK1 cells 15456270
Sodium-dependent serotonin transporter Ki = 1.12 nM 8.95 In vitro displacement of [3H]paroxetine from human serotonin transporter express... 15801845
Sodium-dependent noradrenaline transporter Ki = 1350.0 nM 5.87 In vitro binding affinity on cloned Norepinephrine transporter 10956218
Sodium-dependent dopamine transporter Ki = 1423.0 nM 5.85 In vitro binding affinity on cloned Dopamine transporter 10956218
Sodium-dependent noradrenaline transporter Ki = 5127.0 nM 5.29 In vitro displacement of [3H]nisoxetine from human norepinephrine transporter ex... 15801845

Literature References

PubMed DOI Target Context # Activities
10956218 10.1021/jm000079i Rattus norvegicus 35
10956218 10.1021/jm000079i Sodium-dependent serotonin transporter 1
10956218 10.1021/jm000079i Sodium-dependent noradrenaline transporter 1
10956218 10.1021/jm000079i Sodium-dependent dopamine transporter 1
10956218 10.1021/jm000079i ADMET 1
10956218 10.1021/jm000079i No relevant target 1
12361398 10.1021/jm020167y Sodium-dependent serotonin transporter 1
15456270 10.1021/jm049917p Sodium-dependent serotonin transporter 1
15456270 10.1021/jm049917p Sodium-dependent dopamine transporter 1
15456270 10.1021/jm049917p Sodium-dependent noradrenaline transporter 1
15801845 10.1021/jm0400808 Sodium-dependent serotonin transporter 1
15801845 10.1021/jm0400808 Sodium-dependent dopamine transporter 1
15801845 10.1021/jm0400808 Sodium-dependent noradrenaline transporter 1

Data from ChEMBL 36 via Core Engine