| BioID | bio2430 |
|---|
| Name | LOTRAFIBAN |
|---|
| ChEMBL ID | CHEMBL356301 |
|---|
| Molecular Formula | C23H32N4O4 |
|---|
| Molecular Weight | 428.53 |
|---|
| Molecular Weight (Monoisotopic) | 428.2424 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LOTRAFIBAN|SB-214857 |
|---|
| Smiles | CN1Cc2cc(C(=O)N3CCC(C4CCNCC4)CC3)ccc2N[C@@H](CC(=O)O)C1=O |
|---|
| Inchi | InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)/t20-/m0/s1 |
|---|
| Inchi Key | PYZOVVQJTLOHDG-FQEVSTJZSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 9.0 |
|---|
| Np Likeness Score | -0.24 |
|---|
| Records Key | ['10', 'SID170466633', 'SB-214857, Lotrafiban'] |
|---|
| Records Name | [[(S)-7-([4,4']Bipiperidinyl-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl]-acetic acid", 'SID170466633', "[7-([4,4']Bipiperidinyl-1-carbonyl)-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl]-acetic acid (SB-214857(Iotrafiban))"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
