Compound Detail
CHEMBL34689
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Basic Information
| ChEMBL ID | CHEMBL34689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTFIPECGHSYQNR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
304.5
MW (Da)
7.03
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 CHEMBL5566 | IC50 | 4.24 | 4.135 | 57960.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | IC50 | = | 57960.0 | nM | 4.24 | Inhibition of bovine brain PI-PLCgamma1 | 9677265 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | IC50 | = | 92580.0 | nM | 4.03 | Inhibition of bovine brain PI-PLCgamma1 at 125 ug/mL | 9677265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80506-0 | Beta-lactamase | 4 |
| 9677265 | 10.1021/np970367q | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | 2 |
| 10571153 | 10.1016/s0960-894x(99)00508-9 | Bacillus subtilis | 1 |
| 10571153 | 10.1016/s0960-894x(99)00508-9 | Escherichia coli | 1 |
| - | 10.1016/S0960-894X(01)80506-0 | Beta-lactamase pse-1 | 1 |
| - | 10.1016/S0960-894X(01)80506-0 | Beta-lactamase OXA-1 | 1 |
| - | 10.1016/S0960-894X(01)80506-0 | Beta-lactamase TEM | 1 |
| - | 10.1021/np50114a025 | Seed linoleate 13S-lipoxygenase-1 | 1 |
| 9677265 | 10.1021/np970367q | MCF7 | 1 |
| 9677265 | 10.1021/np970367q | A549 | 1 |
| 9677265 | 10.1021/np970367q | HCT-15 | 1 |
| 9677265 | 10.1021/np970367q | HT1197 | 1 |
| 9677265 | 10.1021/np970367q | SK-OV-3 | 1 |
| 9677265 | 10.1021/np970367q | ADMET | 1 |
| 8021657 | 10.1021/np50106a021 | Tyrosinase | 1 |
| 30996816 | 10.1021/acsmedchemlett.9b00071 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine