Compound Detail
CHEMBL108111
LAMIFIBAN 🧪 Phase II
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🧪 Phase II
N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(OCC(=O)O)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL108111 |
| Name | LAMIFIBAN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FPKOGTAFKSLZLD-FQEVSTJZSA-N |
3
Targets
6
Activities
1
Assay Types
8
PK Parameters
10
Publications
3
Known Names
Molecular Properties
468.5
MW (Da)
1.11
ALogP
6
HBA
5
HBD
166.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 6 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 8.85 | 8.185 | 1.4 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.58 | 20.0 | 3 |
| Homo sapiens CHEMBL372 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.6 | mL.min-1.kg-1 | Macaca |
| CL | 7.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 9.5 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.94 | - | Homo sapiens |
| MRT | 2.5 | hr | Homo sapiens |
| T1/2 | 2.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 1.4 | nM | 8.85 | Inhibition of FG binding to alpha IIb beta-3 integrin | 8759635 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of platelet aggregation | 10999999 |
| Homo sapiens | IC50 | = | 33.0 | nM | 7.48 | Compound was tested for inhibition of platelet aggregation of human platelet ric... | 8759635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15920768 | 10.1002/jps.20373 | ADMET | 8 |
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 1447740 | 10.1021/jm00101a017 | Unchecked | 3 |
| 8759635 | 10.1021/jm9509298 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 1447740 | 10.1021/jm00101a017 | Integrin alpha-IIb/beta-3 | 1 |
| 1447740 | 10.1021/jm00101a017 | Integrin alpha-V/beta-3 | 1 |
| 8759635 | 10.1021/jm9509298 | Integrin alpha-IIb/beta-3 | 1 |
| 10999999 | 10.1021/jm000022w | Integrin alpha-IIb/beta-3 | 1 |
| 18426954 | 10.1124/dmd.108.020479 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine