Compound Detail
CHEMBL6885
QUINAZOLINE-2,4,6-TRIAMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL6885 |
| Name | QUINAZOLINE-2,4,6-TRIAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJBWEZVYRBKOCI-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
0.38
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.17
Kd 2 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.17 | 5.17 | 6780.0 | 1 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 4.57 | 4.57 | 26915.3 | 1 |
| Nucleic Acid CHEMBL345 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Pteridine reductase 1 CHEMBL6194 | Kd | 4.23 | 4.23 | 58750.0 | 1 |
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL4614 | Kd | 4.08 | 4.08 | 83980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 6780.0 | nM | 5.17 | Antioxidant activity assessed as inhibition of ABTS free radical scavenging acti... | 25899334 |
| Dihydrofolate reductase | IC50 | = | 26915.35 | nM | 4.57 | Inhibitory activity against dihydrofolate reductase of rat liver | 7277385 |
| Nucleic Acid | IC50 | = | 40000.0 | nM | 4.4 | Binding affinity to HIV-1 TAR RNA by Tat-TAR fluorimetric competition assay | 25466178 |
| Unchecked | IC50 | = | 40000.0 | nM | 4.4 | Binding affinity to HIV1 TAR RNA assessed as inhibition of Tat-mediated transact... | 37186875 |
| Pteridine reductase 1 | Kd | = | 58750.0 | nM | 4.23 | Binding affinity to Leishmania major pteridine reductase 1 | 25576738 |
| Bifunctional dihydrofolate reductase-thymidylate synthase | Kd | = | 83980.0 | nM | 4.08 | Binding affinity to Leishmania major DHFR | 25576738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25466178 | 10.1016/j.bmcl.2014.11.004 | Nucleic Acid | 2 |
| 25576738 | 10.1016/j.ejmech.2014.12.051 | Leishmania mexicana | 2 |
| 6737433 | 10.1021/jm00373a016 | Dihydrofolate reductase | 1 |
| 6864738 | 10.1021/jm00361a012 | Dihydrofolate reductase | 1 |
| 7277385 | 10.1021/jm00139a009 | Dihydrofolate reductase | 1 |
| 1271401 | 10.1021/jm00227a006 | Dihydrofolate reductase | 1 |
| 25576738 | 10.1016/j.ejmech.2014.12.051 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 25576738 | 10.1016/j.ejmech.2014.12.051 | No relevant target | 1 |
| 25576738 | 10.1016/j.ejmech.2014.12.051 | Pteridine reductase 1 | 1 |
| 25899334 | 10.1016/j.ejmech.2015.04.028 | No relevant target | 1 |
| 37186875 | 10.1021/acs.jmedchem.3c00034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine