Compound Detail
CHEMBL4076148
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Basic Information
| ChEMBL ID | CHEMBL4076148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFCVWXAGCYCOIQ-SFHVURJKSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
465.4
MW (Da)
3.68
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kallikrein-7 CHEMBL2443 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Complement factor D CHEMBL2176771 | IC50 | 4.85 | 4.85 | 14000.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kallikrein-7 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of KLK7 (unknown origin) | 28157311 |
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of N-terminal His-tagged human KLK7 (37 to 253 residues) Y180R mutant... | 32482069 |
| Complement factor D | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of recombinant human complement factor D catalytic domain (G24 to A25... | 28157311 |
| Complement factor D | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of recombinant human complement factor D catalytic domain (G24 to A25... | 28621538 |
| Complement factor D | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of recombinant complement factor D catalytic domain (unknown origin) ... | 29795765 |
| Complement factor D | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of recombinant human factor D expressed in Escherichia coli using Z-L... | 30295487 |
| Complement factor D | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of human complement factor D using Z-L-Lys-SBzl hydrochloride as subs... | 36272185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28157311 | 10.1021/acs.jmedchem.6b01684 | Unchecked | 2 |
| 28157311 | 10.1021/acs.jmedchem.6b01684 | Neutrophil elastase | 1 |
| 28157311 | 10.1021/acs.jmedchem.6b01684 | Prothrombin | 1 |
| 28157311 | 10.1021/acs.jmedchem.6b01684 | Coagulation factor X | 1 |
| 28157311 | 10.1021/acs.jmedchem.6b01684 | Kallikrein-5 | 1 |
| 28157311 | 10.1021/acs.jmedchem.6b01684 | Kallikrein-7 | 1 |
| 28157311 | 10.1021/acs.jmedchem.6b01684 | Complement factor D | 1 |
| 28621538 | 10.1021/acs.jmedchem.7b00425 | Complement factor D | 1 |
| 29795765 | 10.1021/acsmedchemlett.8b00104 | Complement factor D | 1 |
| 30295487 | 10.1021/acs.jmedchem.8b01210 | Complement factor D | 1 |
| 32482069 | 10.1021/acs.jmedchem.9b01033 | Complement factor D | 1 |
| 32482069 | 10.1021/acs.jmedchem.9b01033 | Unchecked | 1 |
| 36272185 | 10.1016/j.bmc.2022.117034 | Complement factor D | 1 |
Data from ChEMBL 36 via Core Engine