Compound Detail
CHEMBL4515874
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4515874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLYJDADVPNRGRF-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
2.29
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase D2 CHEMBL2734 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Phospholipase D1 CHEMBL2536 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.0016 | - | Rattus norvegicus |
| Fu | 0.00138 | - | Homo sapiens |
| Fu | 0.00013 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase D2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellu... | 30528979 |
| Phospholipase D1 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of PLD1 in human Calu1 cells | 30528979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30528979 | 10.1016/j.bmcl.2018.10.033 | ADMET | 3 |
| 30528979 | 10.1016/j.bmcl.2018.10.033 | Phospholipase D2 | 1 |
| 30528979 | 10.1016/j.bmcl.2018.10.033 | Phospholipase D1 | 1 |
Data from ChEMBL 36 via Core Engine