Compound Detail
CHEMBL17805
BRL-48482 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL17805 |
| Name | BRL-48482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYKPNHFCNSVFNF-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.24
ALogP
7
HBA
1
HBD
84.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.66
EC50 2 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.95 | 7.95 | 11.2 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL2459 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 7.66 | 7.63 | 22.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 11.22 | nM | 7.95 | Activation of peroxisome proliferator activated receptor gamma measured by induc... | 9836620 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 13.0 | nM | 7.89 | In vitro transcriptional activation of Peroxisome proliferator activated recepto... | 8576907 |
| Peroxisome proliferator-activated receptor gamma | Ki | = | 22.0 | nM | 7.66 | inhibition of [125I]SB 236636 binding to human PPAR gamma receptor | - |
| Peroxisome proliferator-activated receptor gamma | Ki | = | 22.0 | nM | 7.66 | Inhibition of [125I]SB 236636 binding to human PPAR gamma receptor | - |
| Peroxisome proliferator-activated receptor gamma | Ki | = | 26.92 | nM | 7.57 | In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma... | 9836620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966158 | 10.1021/jm00049a017 | Mus musculus | 7 |
| 9836620 | 10.1021/jm9804127 | Peroxisome proliferator-activated receptor gamma | 2 |
| 8576907 | 10.1021/jm950395a | Peroxisome proliferator-activated receptor gamma | 2 |
| - | 10.1016/S0960-894X(01)80325-5 | Mus musculus | 1 |
| - | 10.1016/0960-894X(96)00383-6 | Mus musculus | 1 |
| - | 10.1016/0960-894X(96)00383-6 | Peroxisome proliferator-activated receptor gamma | 1 |
| 7966158 | 10.1021/jm00049a017 | Unchecked | 1 |
| 8576907 | 10.1021/jm950395a | Peroxisome proliferator-activated receptor alpha | 1 |
| 8576907 | 10.1021/jm950395a | Peroxisome proliferator-activated receptor delta | 1 |
| 8576907 | 10.1021/jm950395a | Mus musculus | 1 |
| - | 10.1016/0960-894X(96)00382-4 | Mus musculus | 1 |
| - | 10.1016/0960-894X(96)00382-4 | Peroxisome proliferator-activated receptor gamma | 1 |
| 28231521 | 10.1016/j.ejmech.2017.02.031 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine