Hyrtiocarbolin
AlkaPlorer ID: AK099547
Synonym: None
IUPAC Name: 6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
Structure
SMILES: O=C(O)C1=CC2=C(NC3=CC=C(O)C=C32)C(C(=O)C2=CN=CN2)=N1
InChI: InChI=1S/C16H10N4O4/c21-7-1-2-10-8(3-7)9-4-11(16(23)24)20-14(13(9)19-10)15(22)12-5-17-6-18-12/h1-6,19,21H,(H,17,18)(H,23,24)
InChIKey: LOTMSHGHGRCVGP-UHFFFAOYSA-N
Reference
A β-Carboline Alkaloid from the Papua New Guinea Marine Sponge <i>Hyrtios reticulatus</i>
PubChem CID: 46184324
LOTUS: LTS0012029
COCONUT: CNP0179823
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyrtios reticulatus | Hyrtios | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 322.28
TPSA？: 131.95999999999998
MolLogP？: 2.0739999999999994
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | BT-549 | IC50 | 45.0 | ug.mL-1 | 10.1021/np9005426 |
| Homo sapiens | DU-145 | IC50 | 34.0 | ug.mL-1 | 10.1021/np9005426 |
| Homo sapiens | HCC 2998 | IC50 | 50.0 | ug.mL-1 | 10.1021/np9005426 |
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/np9005426 |
| Homo sapiens | HeLa | Inhibition | 57.0 | % | 10.1021/np9005426 |
| Homo sapiens | HT-29 | IC50 | 50.0 | ug.mL-1 | 10.1021/np9005426 |
| Homo sapiens | MCF7 | IC50 | 50.0 | ug.mL-1 | 10.1021/np9005426 |
| Homo sapiens | MDA-MB-435 | IC50 | 3.0 | ug.mL-1 | 10.1021/np9005426 |
| Homo sapiens | NCI-H460 | IC50 | 17.0 | ug.mL-1 | 10.1021/np9005426 |
| Homo sapiens | OVCAR-5 | IC50 | 50.0 | ug.mL-1 | 10.1021/np9005426 |
| Homo sapiens | SF-539 | IC50 | 50.0 | ug.mL-1 | 10.1021/np9005426 |
| Homo sapiens | SR | IC50 | 50.0 | ug.mL-1 | 10.1021/np9005426 |
| Homo sapiens | U-937 | IC50 | 1.5 | ug.mL-1 | 10.1021/np9005426 |
| Homo sapiens | UACC-257 | IC50 | 50.0 | ug.mL-1 | 10.1021/np9005426 |
| None | NON-PROTEIN TARGET | IC50 | 1.2 | ug.mL-1 | 10.1021/np9005426 |