Apovincamine
AlkaPlorer ID: AK004653
Synonym: '', 'Apovincamine'
IUPAC Name: methyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
Structure
SMILES: CC[C@@]12C=C(C(=O)OC)N3C4=C(CCN(CCC1)[C@H]42)C1=CC=CC=C13
InChI: InChI=1S/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+/m1/s1
InChIKey: OZDNDGXASTWERN-CTNGQTDRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 336.43499999999995
TPSA？: 34.47
MolLogP？: 3.758200000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | B16 | Activity | 50.0 | % | 10.1016/j.bmc.2010.04.086 |
| Mus musculus | B16 | IC50 | 49800.0 | nM | 10.1016/j.bmc.2010.04.086 |
| Rattus norvegicus | INS1(832/13) | Activity | nan | None | 10.1016/j.ejmech.2019.111976 |
| Rattus norvegicus | INS1(832/13) | EC50 | 5030.0 | nM | 10.1016/j.ejmech.2019.111976 |