4-hydroxy-6,13-dioxo-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹?.0²,¹².0³,?.0?,²?.0¹?,²¹]docosa-1,7,11,14(21),16-pentaen-11-ium-15-ide
AlkaPlorer ID: AK319661
Synonym: None
IUPAC Name: None
Structure
SMILES: O=C1C2=[NH+][C@@H]3C[C@]45C(=CC(=O)[C@H]([C@@H]4O)N4CCC6=C[N-]C1=C6C4=C25)S3
InChI: InChI=1S/C18H13N3O3S/c22-7-3-8-18-4-9(25-8)20-13-11(18)15-10-6(5-19-12(10)16(13)23)1-2-21(15)14(7)17(18)24/h3,5,9,14,17,24H,1-2,4H2,(H,19,20,23)/t9-,14+,17-,18+/m0/s1
InChIKey: QJMJSLBHDYZDDN-JRXCTEAYSA-N
Reference
NPASS: NPC283848
Source
Properties Information
Molecule Weight: 351.38700000000006
TPSA？: 85.68
MolLogP？: -1.3963999999999983
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Hypoxia-inducible factor 1 alpha | IC50 | 730.0 | nM | 10.1021/acs.jnatprod.5b00846 |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | INH | 0.1 | uM | 10.1021/acs.jnatprod.5b00846 |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | INH | 1.0 | uM | 10.1021/acs.jnatprod.5b00846 |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Inhibition | nan | % | 10.1021/acs.jnatprod.5b00846 |
| None | NON-PROTEIN TARGET | IC50 | 6200.0 | nM | 10.1021/acs.jnatprod.5b00846 |
| None | NON-PROTEIN TARGET | IC50 | 7600.0 | nM | 10.1021/acs.jnatprod.5b00846 |
| None | NON-PROTEIN TARGET | IC50 | 8300.0 | nM | 10.1021/acs.jnatprod.5b00846 |
| None | NON-PROTEIN TARGET | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.5b00846 |