Compound Detail
CHEMBL583961
PONGAGLABRONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL583961 |
| Name | PONGAGLABRONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLRNTGNFKYRPHW-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
3.93
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1B1 CHEMBL4878 | IC50 | 5.47 | 5.32 | 3400.0 | 2 |
| Cytochrome P450 1A1 CHEMBL2231 | IC50 | 5.19 | 5.14 | 6400.0 | 2 |
| BV-2 CHEMBL614781 | IC50 | 4.34 | 4.34 | 45670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of human CYP1B1 expressed in sacchrosomes using 7-ethoxyresorufin as ... | 30448188 |
| Cytochrome P450 1A1 | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of human CYP1A1 expressed in human HEK293 cells using 7-ethoxyresoruf... | 30448188 |
| Cytochrome P450 1B1 | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of human CYP1B1 expressed in human HEK293 cells using 7-ethoxyresoruf... | 30448188 |
| Cytochrome P450 1A1 | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of human CYP1A1 expressed in sacchrosomes using 7-ethoxyresorufin as ... | 30448188 |
| BV-2 | IC50 | = | 45670.0 | nM | 4.34 | Anti-neuroinflammatory activity against mouse BV2 cells assessed as inhibition o... | 25466192 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30448188 | 10.1016/j.bmc.2018.11.013 | Cytochrome P450 1B1 | 2 |
| 30448188 | 10.1016/j.bmc.2018.11.013 | Cytochrome P450 1A1 | 2 |
| 19515570 | 10.1016/j.bmc.2009.05.051 | Radical scavenging activity | 1 |
| 19515570 | 10.1016/j.bmc.2009.05.051 | Unchecked | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | BV-2 | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine