Compound Detail
CHEMBL6322
PMS-601 Enter ChEMBL ID:
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CCN(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL6322 |
| Name | PMS-601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKSXEJNMSRTCRE-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
7
PK Parameters
8
Publications
0
Known Names
Molecular Properties
603.7
MW (Da)
3.18
ALogP
10
HBA
0
HBD
125.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Plasma CHEMBL613450 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.96 | 4.96 | 11000.0 | 2 |
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 4.59 | 4.59 | 25800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1828.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 177.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 1426.28 | nM | Rattus norvegicus |
| Cmax | 54.67 | nM | Rattus norvegicus |
| F | 10.9 | % | Rattus norvegicus |
| T1/2 | 2.14 | hr | Rattus norvegicus |
| T1/2 | 2.29 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of PAF-induced platelet aggregation was determined using platelet ric... | 10841793 |
| Plasma | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of PAF-induced platelet aggregation in rabbit platelet-rich plasma | 15566310 |
| Human immunodeficiency virus 1 | IC50 | = | 11000.0 | nM | 4.96 | Antiviral activity towards inhibition of HIV-1 replication using monocyte-derive... | 10841793 |
| Human immunodeficiency virus 1 | IC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against HIV1 BAL in human MDM cells | 15566310 |
| Platelet-activating factor receptor | IC50 | = | 25800.0 | nM | 4.59 | Inhibition of PAF-induced rabbit platelet aggregation | 8478911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566310 | 10.1021/jm040860g | Rattus norvegicus | 7 |
| 10841793 | 10.1021/jm9911276 | Human immunodeficiency virus 1 | 3 |
| 8478911 | 10.1021/jm00060a006 | Platelet-activating factor receptor | 1 |
| 10841793 | 10.1021/jm9911276 | Oryctolagus cuniculus | 1 |
| 15566310 | 10.1021/jm040860g | Human immunodeficiency virus 1 | 1 |
| 15566310 | 10.1021/jm040860g | Plasma | 1 |
| 15566310 | 10.1021/jm040860g | ADMET | 1 |
| 15566310 | 10.1021/jm040860g | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine