Compound Detail
CHEMBL3902347
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
C[C@@H](CN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL3902347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VALMDDHRZJXVOR-FDDCHVKYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
3.49
ALogP
4
HBA
2
HBD
74.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase D1 CHEMBL2536 | IC50 | 7.0 | 6.6133 | 100.0 | 3 |
| Phospholipase D2 CHEMBL2734 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase D1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition Assay: In one aspect, the compound inhibits PLD activity; that is, a ... | - |
| Phospholipase D1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of PLD1 in human Calu1 cells | 30528979 |
| Phospholipase D2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellu... | 30528979 |
| Phospholipase D1 | IC50 | = | 725.0 | nM | 6.14 | Inhibition Assay: In one aspect, the compound inhibits PLD activity; that is, a ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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