Compound Detail
CHEMBL124706
PHTHALAZINONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL124706 |
| Name | PHTHALAZINONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJAPPYDYQCXOEF-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
146.2
MW (Da)
1.34
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.28
Ki 1 meas. best 3.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 4.92 | 4.92 | 12000.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 3.28 | 3.28 | 530000.0 | 1 |
| Protein kinase C iota type CHEMBL2598 | IC50 | 3.23 | 3.23 | 589000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 520.0 | nM | 6.28 | Inhibition of human recombinant PDE4B2-mediated cAMP hydrolysis for 30 mins by c... | 22297114 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 12000.0 | nM | 4.92 | The compound was tested for poly(ADP-ribose)-polymerase (PARP) inhibition | 11689065 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of PARP-1 (unknown origin) | 27416328 |
| Unchecked | Ki | = | 530000.0 | nM | 3.28 | Inhibition of recombinant type N-terminal His6-tagged 2 R67 DHFR expressed in Es... | 22424148 |
| Protein kinase C iota type | IC50 | = | 589000.0 | nM | 3.23 | Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in bacul... | 29688013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22424148 | 10.1021/jm201645r | Unchecked | 2 |
| 11689065 | 10.1021/jm010116l | Poly [ADP-ribose] polymerase 1 | 1 |
| 22297114 | 10.1016/j.bmcl.2012.01.013 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 22424148 | 10.1021/jm201645r | Dihydrofolate reductase | 1 |
| 29688013 | 10.1021/acs.jmedchem.8b00060 | Protein kinase C iota type | 1 |
| 27416328 | 10.1021/acs.jmedchem.6b00055 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine