Bioactive Compound Details
| BioID | bio197089 |
|---|---|
| Name | MERGOCRIPTINE |
| ChEMBL ID | CHEMBL2105887 |
| Molecular Formula | C33H43N5O5 |
| Molecular Weight | 589.74 |
| Molecular Weight (Monoisotopic) | 589.3264 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-METHYL-.ALPHA.-ERGOCRYPTINE|CBM 36-733|CBM36-733|MERGOCRIPTINA|MERGOCRIPTINE |
| Smiles | Cc1[nH]c2cccc3c2c1C[C@@H]1C3=C[C@@H](C(=O)N[C@]2(C(C)C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)N3C2=O)CN1C |
| Inchi | InChI=1S/C33H43N5O5/c1-17(2)13-26-30(40)37-12-8-11-27(37)33(42)38(26)31(41)32(43-33,18(3)4)35-29(39)20-14-23-21-9-7-10-24-28(21)22(19(5)34-24)15-25(23)36(6)16-20/h7,9-10,14,17-18,20,25-27,34,42H,8,11-13,15-16H2,1-6H3,(H,35,39)/t20-,25-,26+,27+,32-,33+/m1/s1 |
| Inchi Key | AFFLEALSHYGOOD-NOURLPFCSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 1.07 |
| Records Key | ['MERGOCRIPTINE'] |
| Records Name | ['MERGOCRIPTINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
