Compound Detail
CHEMBL42467
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Basic Information
| ChEMBL ID | CHEMBL42467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYKVVAGXWCLMQP-KOPFQGDXSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
436.3
MW (Da)
3.20
ALogP
10
HBA
1
HBD
117.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 4.5 | 4.31 | 31700.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 22.7 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 31700.0 | nM | 4.5 | Antiviral activity evaluated as the ability to inhibit the replication of HIV-2 ... | 10229630 |
| CCRF-CEM | EC50 | = | 75000.0 | nM | 4.12 | Antiviral activity evaluated as the ability to inhibit the replication of HIV-1 ... | 10229630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229630 | 10.1021/jm981097r | CCRF-CEM | 3 |
| 10229630 | 10.1021/jm981097r | C3H/3T3 | 2 |
| 10229630 | 10.1021/jm981097r | ADMET | 1 |
| 10229630 | 10.1021/jm981097r | No relevant target | 1 |
| 10229630 | 10.1021/jm981097r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine