3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-11-(4-methylpiperazine-1-carbonyl)-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.0?,¹³]trideca-1,4,6,8(13)-tetraene
AlkaPlorer ID: AK110476
Synonym: None
IUPAC Name: [(9S,11S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-11-yl]-(4-methylpiperazin-1-yl)methanone
Structure
SMILES: CC1=NOC(C)=C1CN1C=C2C[C@@H](C(=O)N3CCN(C)CC3)N[C@@H](CC(C)C)C3=CC=CC1=C23
InChI: InChI=1S/C27H37N5O2/c1-17(2)13-23-21-7-6-8-25-26(21)20(15-32(25)16-22-18(3)29-34-19(22)4)14-24(28-23)27(33)31-11-9-30(5)10-12-31/h6-8,15,17,23-24,28H,9-14,16H2,1-5H3/t23-,24-/m0/s1
InChIKey: VJENEKMFSOKCOW-ZEQRLZLVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 463.62600000000026
TPSA？: 66.54
MolLogP？: 3.669940000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | -10.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Z score | 1.31 | None | 10.6019/CHEMBL4888484 |