Compound Detail
CHEMBL175436
ANABAENOPEPTIN F Enter ChEMBL ID:
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CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL175436 |
| Name | ANABAENOPEPTIN F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAUPUVQHUFXDQT-IYLLGVDMSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
851.0
MW (Da)
0.60
ALogP
9
HBA
11
HBD
297.3
PSA (Ų)
0.07
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxypeptidase B2 CHEMBL3419 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Prothrombin CHEMBL204 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Carboxypeptidase A1 CHEMBL2088 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Carboxypeptidase N catalytic chain CHEMBL4713 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Coagulation factor XI CHEMBL2820 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Coagulation factor VII CHEMBL3991 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Coagulation factor X CHEMBL244 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxypeptidase B2 | IC50 | = | 1.5 | nM | 8.82 | Inhibition of human activated TAFI incubated for 15 mins by microtiter plate rea... | 25990761 |
| Prothrombin | IC50 | = | 350.0 | nM | 6.46 | Inhibition of factor2a (unknown origin) | 25990761 |
| Carboxypeptidase A1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of CPA (unknown origin) | 25990761 |
| Carboxypeptidase N catalytic chain | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of CPN (unknown origin) | 25990761 |
| Coagulation factor XI | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of factor11a (unknown origin) | 25990761 |
| Coagulation factor VII | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of factor7a (unknown origin) | 25990761 |
| Coagulation factor X | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of factor10a (unknown origin) | 25990761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11520225 | 10.1021/np0005356 | Unchecked | 3 |
| 10340607 | 10.1016/s0960-894x(99)00191-2 | Unchecked | 1 |
| 11000037 | 10.1021/np000120k | Carboxypeptidase A1 | 1 |
| 11520225 | 10.1021/np0005356 | Dual specificity protein phosphatase 3 | 1 |
| 11520225 | 10.1021/np0005356 | M-phase inducer phosphatase 2 | 1 |
| 24261937 | 10.1021/np4006844 | Prothrombin | 1 |
| 24261937 | 10.1021/np4006844 | Trypsin | 1 |
| 25990761 | 10.1021/jm501840b | Coagulation factor XI | 1 |
| 25990761 | 10.1021/jm501840b | Prothrombin | 1 |
| 25990761 | 10.1021/jm501840b | Coagulation factor VII | 1 |
| 25990761 | 10.1021/jm501840b | Coagulation factor X | 1 |
| 25990761 | 10.1021/jm501840b | Carboxypeptidase N catalytic chain | 1 |
| 25990761 | 10.1021/jm501840b | Carboxypeptidase A1 | 1 |
| 25990761 | 10.1021/jm501840b | Carboxypeptidase B2 | 1 |
| 27641470 | 10.1016/j.bmcl.2016.09.008 | Carboxypeptidase A1 | 1 |
Data from ChEMBL 36 via Core Engine