Compound Detail
CHEMBL3416132
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Basic Information
| ChEMBL ID | CHEMBL3416132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMZRTRAYSHQMPR-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
181.6
MW (Da)
1.63
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.79
Ki 2 meas. best 2.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 4.79 | 4.5267 | 16200.0 | 3 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
| Coagulation factor VII/tissue factor CHEMBL2095194 | Ki | 2.05 | 2.05 | 8900000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 16200.0 | nM | 4.79 | Inhibition of PARP-10 L926G mutant (unknown origin) mediated ADP-ribosylation of... | 26231158 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 16218.1 | nM | 4.79 | Inhibition of PARP-10 L926G mutant (unknown origin) mediated ADP-ribosylation of... | 26231158 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of PARP-10 (unknown origin) mediated ADP-ribosylation of SRPK2 by flu... | 26231158 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of PARP1 (unknown origin) by fluorescence analysis | 26231158 |
| Coagulation factor VII/tissue factor | Ki | = | 8900000.0 | nM | 2.05 | Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE... | 25764119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26231158 | 10.1016/j.bmcl.2015.07.033 | Protein mono-ADP-ribosyltransferase PARP10 | 4 |
| 25764119 | 10.1021/jm501982k | Coagulation factor VII/tissue factor | 1 |
| 26231158 | 10.1016/j.bmcl.2015.07.033 | Poly [ADP-ribose] polymerase 1 | 1 |
| 27994741 | 10.1021/acsmedchemlett.6b00282 | Coagulation factor VII/tissue factor | 1 |
Data from ChEMBL 36 via Core Engine