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

CHEMBL152935

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
Fc1cccc(OC(c2ccccc2)C2CCNCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152935
Phase Preclinical
Structure Type MOL
InChI Key FDHPZDXAAGIHFC-UHFFFAOYSA-N
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
3.95
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20FNO
MW 285.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.61

Activity Summary

Ki 7 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium-dependent serotonin transporter
CHEMBL313
 Ki 9.0 8.62 1.0 3
Norepinephrine transporter
CHEMBL304
 Ki 7.87 7.44 13.5 2
Sodium-dependent dopamine transporter
CHEMBL338
 Ki 6.79 6.565 163.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium-dependent serotonin transporter Ki = 1.0 nM 9.0 Binding affinity to the serotonin transporter (SERT) measured by displacement of... 14640559
Sodium-dependent serotonin transporter Ki = 1.9 nM 8.72 Binding affinity to the serotonin transporter (SERT) measured by displacement of... 14640559
Sodium-dependent serotonin transporter Ki = 7.3 nM 8.14 Binding affinity to the serotonin transporter (SERT) measured by displacement of... 14640559
Norepinephrine transporter Ki = 13.5 nM 7.87 Binding affinity against norepinephrine transporter (NET) by displacement of [3H... 14640559
Norepinephrine transporter Ki = 98.3 nM 7.01 Binding affinity against norepinephrine transporter (NET) by displacement of [3H... 14640559
Sodium-dependent dopamine transporter Ki = 163.0 nM 6.79 Binding affinity against dopamine transporter (DAT) by displacement of [3H]WIN-3... 14640559
Sodium-dependent dopamine transporter Ki = 461.3 nM 6.34 Binding affinity against dopamine transporter (DAT) by displacement of [3H]WIN-3... 14640559

Literature References

PubMed DOI Target Context # Activities
14640559 10.1021/jm0309349 5-hydroxytryptamine receptor 1A 3
14640559 10.1021/jm0309349 5-hydroxytryptamine receptor 2A 3
14640559 10.1021/jm0309349 Sodium-dependent serotonin transporter 3
14640559 10.1021/jm0309349 Norepinephrine transporter 2
14640559 10.1021/jm0309349 Sodium-dependent dopamine transporter 2
14640559 10.1021/jm0309349 Monoamine transporters; Norepinephrine & serotonin 2

Data from ChEMBL 36 via Core Engine