Compound Detail
CHEMBL2159014
ACRIDINE DIMER Enter ChEMBL ID:
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COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCCNCCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1
Basic Information
| ChEMBL ID | CHEMBL2159014 |
| Name | ACRIDINE DIMER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMKIHZILXGGHHL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
685.7
MW (Da)
8.68
ALogP
8
HBA
4
HBD
92.4
PSA (Ų)
0.06
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.66 | 5.9833 | 220.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 220.0 | nM | 6.66 | Inhibition of HIV-1 reverse transcriptase using 0.05 ug/mL of Poly(rA).p(dT) (12... | 22695131 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of HIV-1 reverse transcriptase using 0.5 ug/mL of Poly(rA).p(dT) (12 ... | 22695131 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 12900.0 | nM | 4.89 | Inhibition of HIV-1 reverse transcriptase using 25 ug/mL of Poly(rA).p(dT) (12 t... | 22695131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22695131 | 10.1016/j.bmcl.2012.05.041 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
Data from ChEMBL 36 via Core Engine