| BioID | bio198578 |
|---|
| Name | RIFAMEXIL |
|---|
| ChEMBL ID | CHEMBL1908313 |
|---|
| Molecular Formula | C42H55N3O11S |
|---|
| Molecular Weight | 809.98 |
|---|
| Molecular Weight (Monoisotopic) | 809.3557 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | MDL 62,769|MDL-62769|RIFAMEXIL|RIFAMEXILO|RIFAMYCIN P, 2'-(DIETHYLAMINO)- |
|---|
| Smiles | CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N1)O4 |
|---|
| Inchi | InChI=1S/C42H55N3O11S/c1-12-45(13-2)41-44-30-27-28-34(49)24(8)37-29(27)39(51)42(10,56-37)54-18-17-26(53-11)21(5)36(55-25(9)46)23(7)33(48)22(6)32(47)19(3)15-14-16-20(4)40(52)43-31(35(28)50)38(30)57-41/h14-19,21-23,26,32-33,36,47-50H,12-13H2,1-11H3,(H,43,52)/b15-14+,18-17+,20-16-/t19-,21+,22+,23+,26-,32-,33+,36+,42-/m0/s1 |
|---|
| Inchi Key | QTLQVMGAXZJADU-ZRWMMNBYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 1.51 |
|---|
| Records Key | ['Rifamexil', 'RIFAMEXIL'] |
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| Records Name | ['28-(1-ethylpropyl)-15,17,32-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-13-methylcarbonyloxy-6,23-dioxo-8,33-dioxa-27-thia-29-azonia-24-azapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1,3,5(31),9,19,21,25,28-octaen-2-olate; (rifamexil)', 'RIFAMEXIL'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
