Compound Detail
CHEMBL3260120
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Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc3ccccc3)O2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL3260120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQRGEINMRSRVOQ-DAOJORBCSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
2.99
ALogP
9
HBA
2
HBD
137.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.54
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.54 | 6.54 | 290.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 290.0 | nM | 6.54 | Antiretroviral activity against HIV-1 3B infected in human CEM/0 cells expressin... | 24751439 |
| Human immunodeficiency virus 2 | EC50 | = | 900.0 | nM | 6.05 | Antiretroviral activity against HIV-2 ROD infected in human CEM/0 cells expressi... | 24751439 |
| L1210 | IC50 | = | 6300.0 | nM | 5.2 | Cytostatic activity against mouse L1210 cells assessed as inhibition of cell pro... | 24751439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24751439 | 10.1016/j.bmcl.2014.03.092 | Human immunodeficiency virus 2 | 2 |
| 24751439 | 10.1016/j.bmcl.2014.03.092 | CCRF-CEM | 2 |
| 24751439 | 10.1016/j.bmcl.2014.03.092 | Human immunodeficiency virus 1 | 1 |
| 24751439 | 10.1016/j.bmcl.2014.03.092 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine