7-Amino-4-hydroxypyrido[4,3,2-mn]pyrrolo[3,2,1-de]acridine; N-(3-Methyl-2-butenoyl)
AlkaPlorer ID: AK012127
Synonym: Arnoamine D
IUPAC Name: N-(13-hydroxy-8,15-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,9,11(19),12,14,16-nonaen-9-yl)-3-methylbut-2-enamide
Structure
SMILES: CC(C)=CC(O)=NC1=CC2=C3C4=C(C=CN=C4C(O)=C2)C2=CC=CC=C2N13
InChI: InChI=1S/C22H17N3O2/c1-12(2)9-19(27)24-18-11-13-10-17(26)21-20-15(7-8-23-21)14-5-3-4-6-16(14)25(18)22(13)20/h3-11,26H,1-2H3,(H,24,27)
InChIKey: IWIBKNRYVHDQHU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| Pentaceras australe | Pentaceras | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 355.39700000000005
TPSA？: 70.12
MolLogP？: 5.491500000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-375 | IC50 | 6000.0 | nM | 10.1021/np400284z |
| Homo sapiens | HCT-116 | IC50 | 4320.0 | nM | 10.1021/np400284z |
| Homo sapiens | SW480 | IC50 | 8480.0 | nM | 10.1021/np400284z |