Versiquinazoline H
AlkaPlorer ID: AK057563
Synonym: 'Versiquinazoline H'
IUPAC Name: (1S,10R,13S,15S)-10-[(2S)-butan-2-yl]-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
Structure
SMILES: CC[C@H](C)[C@@H]1C(=O)N2C3=CC=CC=C3[C@@]3(O)C[C@H](N4C=NC5=CC=CC=C5C4=O)C(=O)N1[C@@H]23
InChI: InChI=1S/C25H24N4O4/c1-3-14(2)20-23(32)28-18-11-7-5-9-16(18)25(33)12-19(22(31)29(20)24(25)28)27-13-26-17-10-6-4-8-15(17)21(27)30/h4-11,13-14,19-20,24,33H,3,12H2,1-2H3/t14-,19-,20+,24+,25-/m0/s1
InChIKey: UUHMOOKGLMRCGV-UEHCWCPDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 444.49100000000016
TPSA？: 95.74
MolLogP？: 2.1587
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.6b00801 |
| Homo sapiens | A549 | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.6b00801 |
| None | Unchecked | Inhibition | 62.0 | % | 10.1021/acs.jnatprod.6b00801 |