| BioID | bio2580 |
|---|
| Name | LAMIFIBAN |
|---|
| ChEMBL ID | CHEMBL108111 |
|---|
| Molecular Formula | C24H28N4O6 |
|---|
| Molecular Weight | 468.51 |
|---|
| Molecular Weight (Monoisotopic) | 468.2009 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LAMIFIBAN|Lamifiban|RO 44-9883/000|Ro-44-9883 |
|---|
| Smiles | N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(OCC(=O)O)CC2)cc1 |
|---|
| Inchi | InChI=1S/C24H28N4O6/c25-22(26)16-3-5-17(6-4-16)23(32)27-20(13-15-1-7-18(29)8-2-15)24(33)28-11-9-19(10-12-28)34-14-21(30)31/h1-8,19-20,29H,9-14H2,(H3,25,26)(H,27,32)(H,30,31)/t20-/m0/s1 |
|---|
| Inchi Key | FPKOGTAFKSLZLD-FQEVSTJZSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 24.0 |
|---|
| Np Likeness Score | -0.37 |
|---|
| Records Key | ['1', 'Lamifiban', 'Ro-449883 (Lamifiban)', '37f (Ro-449883)', 'Lamifiban', 'LAMIFIBAN', 'COVC-3363209104'] |
|---|
| Records Name | ['{1-[(S)-2-(4-Carbamimidoyl-benzoylamino)-3-(4-hydroxy-phenyl)-propionyl]-piperidin-4-yloxy}-acetic acid', 'Lamifiban', '{1-[2-(4-Carbamimidoyl-benzoylamino)-3-(4-hydroxy-phenyl)-propionyl]-piperidin-4-yloxy}-acetic acid', '{1-[2-(4-Carbamimidoyl-benzoylamino)-3-(4-hydroxy-phenyl)-propionyl]-piperidin-4-yloxy}-acetic acid', 'Lamifiban', 'LAMIFIBAN', 'LAMIFIBAN'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
