Compound Detail
CHEMBL1235421
PYRROLOQUINOLINE QUINONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1235421 |
| Name | PYRROLOQUINOLINE QUINONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMXZSJMASHPLLR-UHFFFAOYSA-N |
3
Targets
7
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
330.2
MW (Da)
0.55
ALogP
6
HBA
4
HBD
174.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
EC50 1 meas. best 7.15
Ki 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 7.52 | 6.88 | 30.0 | 2 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 7.15 | 7.15 | 71.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | Ki | 6.48 | 6.48 | 332.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.59 | 4.59 | 25480.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.34 | 4.34 | 45710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 30.0 | nM | 7.52 | Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as de... | 33630609 |
| G-protein coupled receptor 35 | EC50 | = | 71.0 | nM | 7.15 | Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as dy... | 33630609 |
| G-protein coupled receptor 35 | Ki | = | 332.0 | nM | 6.48 | Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells... | 37077394 |
| G-protein coupled receptor 35 | IC50 | = | 582.0 | nM | 6.24 | Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as re... | 33630609 |
| MCF7 | IC50 | = | 25480.0 | nM | 4.59 | Antiproliferative against human MCF7 cells after 48 hrs by MTT assay | 24996136 |
| HepG2 | IC50 | = | 45710.0 | nM | 4.34 | Antiproliferative against human HepG2 cells after 48 hrs by MTT assay | 24996136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33630609 | 10.1021/acs.jmedchem.0c01624 | G-protein coupled receptor 35 | 3 |
| 24996136 | 10.1016/j.ejmech.2014.05.043 | A549 | 2 |
| 24996136 | 10.1016/j.ejmech.2014.05.043 | MCF7 | 1 |
| 24996136 | 10.1016/j.ejmech.2014.05.043 | HepG2 | 1 |
| 37077394 | 10.1021/acsmedchemlett.2c00461 | G-protein coupled receptor 35 | 1 |
Data from ChEMBL 36 via Core Engine