Sid492474
AlkaPlorer ID: AK030846
Synonym: None
IUPAC Name: 4,6-dibromo-3-methylsulfanyl-2-methylsulfinyl-1H-indole
Structure
SMILES: CSC1=C(S(C)=O)NC2=CC(Br)=CC(Br)=C12
InChI: InChI=1S/C10H9Br2NOS2/c1-15-9-8-6(12)3-5(11)4-7(8)13-10(9)16(2)14/h3-4,13H,1-2H3
InChIKey: RPUHYZCTFRSRAR-UHFFFAOYSA-N
Reference
Itomanindoles A and B. Methylsulfinylindoles from Laurencia Brongniartii
PubChem CID: 362040
CAS: 119340-95-3
LOTUS: LTS0058866
COCONUT: CNP0145618
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Laurencia brongniartii | Laurencia | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 383.13000000000005
TPSA？: 32.86
MolLogP？: 4.1522000000000014
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 15995.58 | nM | None |
| Homo sapiens | A498 | GI50 | 22130.95 | nM | None |
| Homo sapiens | A549 | GI50 | 23988.33 | nM | None |
| Homo sapiens | ACHN | GI50 | 24490.63 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 25118.86 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 22233.1 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 17988.71 | nM | None |
| Homo sapiens | DLD-1 | GI50 | 16519.62 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 20370.42 | nM | None |
| Homo sapiens | DMS-273 | GI50 | 16405.9 | nM | None |
| Homo sapiens | EKVX | GI50 | 14256.08 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 18281.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 17579.24 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 22803.42 | nM | None |
| Homo sapiens | HL-60 | GI50 | 21281.39 | nM | None |
| Homo sapiens | HOP-18 | GI50 | 39536.66 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 10889.3 | nM | None |
| Homo sapiens | HT-29 | Activity | nan | None | 10.1021/np058001y |
| Homo sapiens | HT-29 | GI50 | 26853.44 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 37068.07 | nM | None |
| Homo sapiens | K562 | GI50 | 24154.61 | nM | None |
| Homo sapiens | KM12 | GI50 | 24603.68 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 16218.1 | nM | None |
| Homo sapiens | LXFL 529 | GI50 | 21086.28 | nM | None |
| Homo sapiens | M14 | GI50 | 25585.86 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 29174.27 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 24945.95 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 18113.4 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 27415.74 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 19275.25 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 27164.39 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 16749.43 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 23280.91 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 20558.91 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 22029.26 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 18793.17 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 13963.68 | nM | None |
| Homo sapiens | RXF 631 | GI50 | 20653.8 | nM | None |
| Homo sapiens | SF-295 | GI50 | 17060.82 | nM | None |
| Homo sapiens | SF-539 | GI50 | 22387.21 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 20701.41 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 18281.0 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 27861.21 | nM | None |
| Homo sapiens | SN12C | GI50 | 16672.47 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 17298.16 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 19319.68 | nM | None |
| Homo sapiens | SW-620 | GI50 | 32809.53 | nM | None |
| Homo sapiens | TK-10 | GI50 | 27797.13 | nM | None |
| Homo sapiens | U-251 | GI50 | 37.58 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 33265.96 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 17947.34 | nM | None |
| Homo sapiens | UO-31 | GI50 | 23442.29 | nM | None |
| Mus musculus | P388 | Activity | nan | None | 10.1021/np058001y |