Chrysosporazine D
AlkaPlorer ID: AK123404
Synonym: None
IUPAC Name: 1-[(2S,5S)-4-benzoyl-2-benzyl-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethanone
Structure
SMILES: COC1=CC(C[C@H]2CN(C(C)=O)[C@@H](CC3=CC=CC=C3)CN2C(=O)C2=CC=CC=C2)=CC2=C1OCO2
InChI: InChI=1S/C29H30N2O5/c1-20(32)30-17-25(14-22-15-26(34-2)28-27(16-22)35-19-36-28)31(29(33)23-11-7-4-8-12-23)18-24(30)13-21-9-5-3-6-10-21/h3-12,15-16,24-25H,13-14,17-19H2,1-2H3/t24-,25-/m0/s1
InChIKey: FAJQATXXQQHVIW-DQEYMECFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chrysosporium sp. | Chrysosporium | Onygenaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 486.56800000000027
TPSA？: 68.31
MolLogP？: 3.9508000000000014
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | P-glycoprotein 1 | IC50 | 4360.0 | nM | 10.1021/acs.jmedchem.1c01989 |
| Homo sapiens | P-glycoprotein 1 | Ratio IC50 | 1.3 | None | 10.1021/acs.jmedchem.1c01989 |
| Homo sapiens | SW620/AD300 | Ratio IC50 | 0.2 | None | 10.1021/acs.jmedchem.1c01989 |
| None | Unchecked | IC50 | 30000.0 | nM | 10.1021/acs.jmedchem.1c01989 |