Candidine
AlkaPlorer ID: AK319776
Synonym: None
IUPAC Name: (6Z)-6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one
Structure
SMILES: O=C1/C(=C2\C3=CC=CC=C3N3C(=O)C4=CC=CC=C4N=C23)NC2=CC=CC=C12
InChI: InChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19-
InChIKey: DXENDDMPDZMHSQ-VXPUYCOJSA-N
Reference
Chemical Constituents of<i>Isatis indigotica</i>
PubChem CID: 5320815
LOTUS: LTS0045216
NPASS: NPC295021
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Persicaria tinctoria | Persicaria | Polygonaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Phaius mishmensis | Phaius | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 363.376
TPSA？: 63.47
MolLogP？: 3.136400000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 58748.94 | nM | None |
| Homo sapiens | A498 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A549 | GI50 | 84527.88 | nM | None |
| Homo sapiens | ACHN | GI50 | 100000.0 | nM | None |
| Homo sapiens | BT-549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 100000.0 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 58479.01 | nM | None |
| Homo sapiens | DU-145 | GI50 | 100000.0 | nM | None |
| Homo sapiens | EKVX | GI50 | 88920.11 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 82413.81 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HL-60 | GI50 | 10000.0 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 70469.31 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 75683.29 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 29853.83 | nM | None |
| Homo sapiens | HT-29 | GI50 | 26607.25 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | K562 | GI50 | 84527.88 | nM | None |
| Homo sapiens | KM12 | GI50 | 59703.53 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 72777.98 | nM | None |
| Homo sapiens | M14 | GI50 | 38725.76 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 33036.95 | nM | None |
| Homo sapiens | MCF7 | GI50 | 70145.53 | nM | None |
| Homo sapiens | MCF7 | IC50 | 50000.0 | nM | 10.1021/np800064w |
| Homo sapiens | MDA-MB-231 | GI50 | 70307.23 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 18535.32 | nM | None |
| Homo sapiens | MDA-N | GI50 | 18620.87 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 31622.78 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 64863.44 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 43451.02 | nM | None |
| Homo sapiens | NCI-H460 | IC50 | 50000.0 | nM | 10.1021/np800064w |
| Homo sapiens | NCI-H522 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 45919.8 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 91833.26 | nM | None |
| Homo sapiens | PC-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Quinone reductase 1 | IC50 | 25000.0 | nM | 10.1016/j.bmcl.2006.09.015 |
| Homo sapiens | RPMI-8226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-268 | GI50 | 85310.01 | nM | None |
| Homo sapiens | SF-268 | IC50 | 50000.0 | nM | 10.1021/np800064w |
| Homo sapiens | SF-295 | GI50 | 78342.96 | nM | None |
| Homo sapiens | SF-539 | GI50 | 62950.62 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 53826.98 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 25585.86 | nM | None |
| Homo sapiens | SR | GI50 | 89536.48 | nM | None |
| Homo sapiens | SW-620 | GI50 | 100000.0 | nM | None |
| Homo sapiens | T47D | GI50 | 26730.06 | nM | None |
| Homo sapiens | TK-10 | GI50 | 100000.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 93756.2 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 86696.19 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 43853.07 | nM | None |
| Homo sapiens | UO-31 | GI50 | 21478.3 | nM | None |