Compound Detail
CHEMBL3288755
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
CCN1C(=O)CN(c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL3288755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKQVIDODFGYTAX-IFPLKCGESA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
12
Publications
0
Known Names
Molecular Properties
490.9
MW (Da)
1.23
ALogP
7
HBA
4
HBD
130.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.96 | 7.96 | 10.9 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.3 | mL.min-1.g-1 | Homo sapiens |
| CL | 1.9 | mL.min-1.g-1 | Rattus norvegicus |
| F | 4.0 | % | Rattus norvegicus |
| T1/2 | 0.5833 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 10.9 | nM | 7.96 | Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14... | 24842618 |
| Sodium/glucose cotransporter 1 | IC50 | = | 17500.0 | nM | 4.76 | Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14... | 24842618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24842618 | 10.1016/j.bmc.2014.04.036 | Liver microsome | 2 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Rattus norvegicus | 2 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Sodium/glucose cotransporter 2 | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Sodium/glucose cotransporter 1 | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Cytochrome P450 1A2 | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Cytochrome P450 2B6 | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Cytochrome P450 2C9 | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Cytochrome P450 2C19 | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Cytochrome P450 2D6 | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Cytochrome P450 3A4 | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | No relevant target | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine