Compound Detail
CHEMBL5912424
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
COC(=O)/C=C/CC[C@H](NC(=O)c1cncc(C(=O)O)c1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C1CCCCC1)C1CCCCC1)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5912424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGHMBXSRMHYTTI-YXAJPWJGSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
824.0
MW (Da)
2.53
ALogP
10
HBA
6
HBD
256.3
PSA (Ų)
0.10
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XIII A chain CHEMBL4530 | IC50 | 8.0 | 7.785 | 10.0 | 2 |
| Protein-glutamine gamma-glutamyltransferase CHEMBL2730 | IC50 | 7.57 | 7.38 | 27.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XIII A chain | IC50 | = | 10.0 | nM | 8.0 | Isopeptidase Assay for Estimating Inhibitor Potency: FXIIIa activity has been de... | - |
| Coagulation factor XIII A chain | IC50 | = | 27.0 | nM | 7.57 | Isopeptidase Assay for Estimating Inhibitor Potency: FXIIIa activity has been de... | - |
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 27.0 | nM | 7.57 | Isopeptidase Assay for Estimating Inhibitor Potency: FXIIIa activity has been de... | - |
| Protein-glutamine gamma-glutamyltransferase | IC50 | = | 64.0 | nM | 7.19 | Isopeptidase Assay for Estimating Inhibitor Potency: FXIIIa activity has been de... | - |
Data from ChEMBL 36 via Core Engine