Compound Detail
CHEMBL18099
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Cc1cn(C2C=CC(COP(=O)(NC(C)C(=O)OCc3ccccc3)Oc3ccccc3)O2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL18099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBODADFUSMWQAZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
541.5
MW (Da)
3.22
ALogP
9
HBA
2
HBD
137.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 7.66 | 7.43 | 22.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 22.0 | nM | 7.66 | Compound was evaluated for the inhibition of HIV replication using HIV-1 infecte... | - |
| CCRF-CEM | EC50 | = | 39.0 | nM | 7.41 | Compound was evaluated for the inhibition of HIV replication using HIV-2 infecte... | - |
| CCRF-CEM | EC50 | = | 60.0 | nM | 7.22 | Compound was evaluated for the inhibition of HIV replication using HIV-2 infecte... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00195-3 | CCRF-CEM | 4 |
| 10999474 | 10.1016/s0960-894x(00)00397-8 | CCRF-CEM | 3 |
Data from ChEMBL 36 via Core Engine