Compound Detail
CHEMBL5661885
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Cc1nn(Cc2ccc(C#N)c(F)c2)c(C)c1NC(=O)c1cc(C(F)(F)F)nc2ccc(Br)cc12
Basic Information
| ChEMBL ID | CHEMBL5661885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMHWQEQCCMKORB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
546.3
MW (Da)
6.14
ALogP
5
HBA
1
HBD
83.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 3 CHEMBL5215 | IC50 | 5.76 | 5.76 | 1720.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 2 CHEMBL5873 | IC50 | 4.58 | 4.58 | 26400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 2, facilitated glucose transporter member 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human GLUT1 expressed in human DLD-1 cells assessed as reduction i... | 27552707 |
| Solute carrier family 2, facilitated glucose transporter member 3 | IC50 | = | 1720.0 | nM | 5.76 | Inhibition of human GLUT3 expressed in human GLUT1-/- DLD-1 cells assessed as re... | 27552707 |
| Solute carrier family 2, facilitated glucose transporter member 2 | IC50 | = | 26400.0 | nM | 4.58 | Inhibition of human GLUT2 expressed in CHO cells assessed as reduction in fructo... | 27552707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27552707 | 10.1002/cmdc.201600276 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| 27552707 | 10.1002/cmdc.201600276 | Solute carrier family 2, facilitated glucose transporter member 2 | 1 |
| 27552707 | 10.1002/cmdc.201600276 | Solute carrier family 2, facilitated glucose transporter member 3 | 1 |
| 27552707 | 10.1002/cmdc.201600276 | Solute carrier family 2, facilitated glucose transporter member 4 | 1 |
Data from ChEMBL 36 via Core Engine