Compound Detail
CHEMBL345671
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 | CHEMBL345671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWOOFMYVNWVNPT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1184349 |
| Active Moiety | CHEMBL1184349 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
1.88
ALogP
6
HBA
4
HBD
99.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.34 | 5.43 | 460.0 | 2 |
| Phosphodiesterase 1 CHEMBL2097166 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 460.0 | nM | 6.34 | Compound was tested for inhibitory concentration required to inhibit 50% of [14C... | 9871574 |
| L1210 | IC50 | = | 30000.0 | nM | 4.52 | Cytotoxic effect on L1210 leukemia cells. | 9871574 |
| Phosphodiesterase 1 | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of calmodulin dependent phosphodiesterase | 9871574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871574 | 10.1016/s0960-894x(98)00086-9 | L1210 | 2 |
| 9871574 | 10.1016/s0960-894x(98)00086-9 | Phosphodiesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine