Compound Detail
CHEMBL4640542
QN-302 Phase I
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
Phase I
O=C1c2cc(-c3ccc(CN4CCCC4)cc3)c3c4c(cc(NCCN5CCCC5)c(c24)C(=O)N1CCCN1CCOCC1)C(=O)N(CCCN1CCOCC1)C3=O
Basic Information
| ChEMBL ID | CHEMBL4640542 |
| Name | QN-302 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | JQXVCGMANURRRW-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
7
PK Parameters
10
Publications
4
Known Names
1
Indications
Molecular Properties
792.0
MW (Da)
4.25
ALogP
11
HBA
1
HBD
118.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms
Activity Summary
Kd 6 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| quadruplex DNA CHEMBL3832742 | Kd | 8.7 | 8.185 | 2.0 | 6 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5863.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 8271.0 | ng.hr.mL-1 | Mus musculus |
| CL | 2.2 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 5275.32 | nM | Mus musculus |
| T1/2 | 36.0 | hr | Rattus norvegicus |
| T1/2 | 37.0 | hr | Mus musculus |
| Vd | 6.9 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| quadruplex DNA | Kd | = | 2.0 | nM | 8.7 | Binding affinity to human TERRA G4-quadruplex RNA assessed as dissociation equil... | 32435416 |
| quadruplex DNA | Kd | = | 3.0 | nM | 8.52 | Binding affinity to biotin-labeled human TERRA G4-quadruplex RNA assessed as dis... | 32435416 |
| quadruplex DNA | Kd | = | 4.0 | nM | 8.4 | Binding affinity to human TERT G4-quadruplex DNA assessed as dissociation equili... | 32435416 |
| quadruplex DNA | Kd | = | 4.0 | nM | 8.4 | Binding affinity to biotin-labeled human TERT G4-quadruplex DNA assessed as diss... | 32435416 |
| quadruplex DNA | Kd | = | 28.0 | nM | 7.55 | Binding affinity to biotin-labeled human HTR G4-quadruplex DNA assessed as disso... | 32435416 |
| quadruplex DNA | Kd | = | 29.0 | nM | 7.54 | Binding affinity to human HTR G4-quadruplex DNA assessed as dissociation equilib... | 32435416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32832034 | 10.1021/acsmedchemlett.0c00317 | Unchecked | 32 |
| 32435416 | 10.1021/acsmedchemlett.0c00041 | quadruplex DNA | 14 |
| 32832034 | 10.1021/acsmedchemlett.0c00317 | ADMET | 14 |
| 32832034 | 10.1021/acsmedchemlett.0c00317 | MIA PaCa-2 | 11 |
| 32435416 | 10.1021/acsmedchemlett.0c00041 | Unchecked | 3 |
| 32832034 | 10.1021/acsmedchemlett.0c00317 | quadruplex DNA | 3 |
| 32435416 | 10.1021/acsmedchemlett.0c00041 | DNA | 2 |
| 32832034 | 10.1021/acsmedchemlett.0c00317 | CAPAN-1 | 2 |
| 32832034 | 10.1021/acsmedchemlett.0c00317 | PANC-1 | 2 |
| 32832034 | 10.1021/acsmedchemlett.0c00317 | BXPC-3 | 1 |
Data from ChEMBL 36 via Core Engine