Pterocellin B
AlkaPlorer ID: AK065901
Synonym: None
IUPAC Name: 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione
Structure
SMILES: COC1=CN2C3=C(CC4=CC=CC=C4)N=CC=C3C(=O)C2=CC1=O
InChI: InChI=1S/C19H14N2O3/c1-24-17-11-21-15(10-16(17)22)19(23)13-7-8-20-14(18(13)21)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKey: SKYCQYHSCUMMRT-UHFFFAOYSA-N
Reference
PubChem CID: 10426008
CAS: 593235-03-1
LOTUS: LTS0202290
SuperNatural Ⅲ: SN0348375
COCONUT: CNP0183039
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterocella vesiculosa | Pterocella | Catenicellidae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 318.3320000000001
TPSA？: 61.190000000000005
MolLogP？: 2.3763000000000005
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Amorphotheca resinae | Amorphotheca resinae | MIC | 60.0 | ug | 10.1021/np030104y |
| Bacillus subtilis | Bacillus subtilis | MIC | 0.0 | ug | 10.1021/np030104y |
| Candida albicans | Candida albicans | MIC | 60.0 | ug | 10.1021/np030104y |
| Escherichia coli | Escherichia coli | MIC | 60.0 | ug | 10.1021/np030104y |
| Homo sapiens | 786-0 | GI50 | 1800.0 | nM | 10.1021/np030104y |
| Homo sapiens | 786-0 | LC50 | 17900.0 | nM | 10.1021/np030104y |
| Homo sapiens | 786-0 | TGI | 5000.0 | nM | 10.1021/np030104y |
| Homo sapiens | A498 | GI50 | 1900.0 | nM | 10.1021/np030104y |
| Homo sapiens | A498 | LC50 | 8500.0 | nM | 10.1021/np030104y |
| Homo sapiens | A498 | TGI | 4000.0 | nM | 10.1021/np030104y |
| Homo sapiens | A549 | GI50 | 200.0 | nM | 10.1021/np030104y |
| Homo sapiens | A549 | LC50 | 1800.0 | nM | 10.1021/np030104y |
| Homo sapiens | A549 | TGI | 500.0 | nM | 10.1021/np030104y |
| Homo sapiens | ACHN | GI50 | 1100.0 | nM | 10.1021/np030104y |
| Homo sapiens | ACHN | LC50 | 7800.0 | nM | 10.1021/np030104y |
| Homo sapiens | ACHN | TGI | 2900.0 | nM | 10.1021/np030104y |
| Homo sapiens | BT-549 | GI50 | 1500.0 | nM | 10.1021/np030104y |
| Homo sapiens | BT-549 | LC50 | 5600.0 | nM | 10.1021/np030104y |
| Homo sapiens | BT-549 | TGI | 2900.0 | nM | 10.1021/np030104y |
| Homo sapiens | CAKI-1 | GI50 | 1500.0 | nM | 10.1021/np030104y |
| Homo sapiens | CAKI-1 | LC50 | 7400.0 | nM | 10.1021/np030104y |
| Homo sapiens | CAKI-1 | TGI | 3300.0 | nM | 10.1021/np030104y |
| Homo sapiens | CCRF-CEM | GI50 | 1700.0 | nM | 10.1021/np030104y |
| Homo sapiens | CCRF-CEM | LC50 | 100000.0 | nM | 10.1021/np030104y |
| Homo sapiens | CCRF-CEM | TGI | 5200.0 | nM | 10.1021/np030104y |
| Homo sapiens | COLO 205 | GI50 | 700.0 | nM | 10.1021/np030104y |
| Homo sapiens | COLO 205 | LC50 | 6100.0 | nM | 10.1021/np030104y |
| Homo sapiens | COLO 205 | TGI | 2300.0 | nM | 10.1021/np030104y |
| Homo sapiens | DU-145 | GI50 | 200.0 | nM | 10.1021/np030104y |
| Homo sapiens | DU-145 | LC50 | 600.0 | nM | 10.1021/np030104y |
| Homo sapiens | DU-145 | TGI | 300.0 | nM | 10.1021/np030104y |
| Homo sapiens | EKVX | GI50 | 1400.0 | nM | 10.1021/np030104y |
| Homo sapiens | EKVX | LC50 | 10700.0 | nM | 10.1021/np030104y |
| Homo sapiens | EKVX | TGI | 3800.0 | nM | 10.1021/np030104y |
| Homo sapiens | HCC 2998 | GI50 | 400.0 | nM | 10.1021/np030104y |
| Homo sapiens | HCC 2998 | LC50 | 3200.0 | nM | 10.1021/np030104y |
| Homo sapiens | HCC 2998 | TGI | 1000.0 | nM | 10.1021/np030104y |
| Homo sapiens | HCT-116 | GI50 | 500.0 | nM | 10.1021/np030104y |
| Homo sapiens | HCT-116 | LC50 | 4000.0 | nM | 10.1021/np030104y |
| Homo sapiens | HCT-116 | TGI | 1600.0 | nM | 10.1021/np030104y |
| Homo sapiens | HCT-15 | GI50 | 500.0 | nM | 10.1021/np030104y |
| Homo sapiens | HCT-15 | LC50 | 4900.0 | nM | 10.1021/np030104y |
| Homo sapiens | HCT-15 | TGI | 1800.0 | nM | 10.1021/np030104y |
| Homo sapiens | HL-60(TB) | GI50 | 1000.0 | nM | 10.1021/np030104y |
| Homo sapiens | HL-60(TB) | LC50 | 43500.0 | nM | 10.1021/np030104y |
| Homo sapiens | HL-60(TB) | TGI | 5100.0 | nM | 10.1021/np030104y |
| Homo sapiens | HOP-62 | GI50 | 1000.0 | nM | 10.1021/np030104y |
| Homo sapiens | HOP-62 | LC50 | 4600.0 | nM | 10.1021/np030104y |
| Homo sapiens | HOP-62 | TGI | 2100.0 | nM | 10.1021/np030104y |
| Homo sapiens | HOP-92 | GI50 | 1700.0 | nM | 10.1021/np030104y |
| Homo sapiens | HOP-92 | LC50 | 8800.0 | nM | 10.1021/np030104y |
| Homo sapiens | HOP-92 | TGI | 3800.0 | nM | 10.1021/np030104y |
| Homo sapiens | HT-29 | GI50 | 500.0 | nM | 10.1021/np030104y |
| Homo sapiens | HT-29 | LC50 | 27300.0 | nM | 10.1021/np030104y |
| Homo sapiens | HT-29 | TGI | 3200.0 | nM | 10.1021/np030104y |
| Homo sapiens | IGROV-1 | GI50 | 1000.0 | nM | 10.1021/np030104y |
| Homo sapiens | IGROV-1 | LC50 | 6000.0 | nM | 10.1021/np030104y |
| Homo sapiens | IGROV-1 | TGI | 2500.0 | nM | 10.1021/np030104y |
| Homo sapiens | K562 | GI50 | 1200.0 | nM | 10.1021/np030104y |
| Homo sapiens | K562 | LC50 | 4900.0 | nM | 10.1021/np030104y |
| Homo sapiens | K562 | TGI | 2400.0 | nM | 10.1021/np030104y |
| Homo sapiens | KM12 | GI50 | 600.0 | nM | 10.1021/np030104y |
| Homo sapiens | KM12 | LC50 | 4500.0 | nM | 10.1021/np030104y |
| Homo sapiens | KM12 | TGI | 1900.0 | nM | 10.1021/np030104y |
| Homo sapiens | LOX IMVI | GI50 | 400.0 | nM | 10.1021/np030104y |
| Homo sapiens | LOX IMVI | LC50 | 13200.0 | nM | 10.1021/np030104y |
| Homo sapiens | LOX IMVI | TGI | 2400.0 | nM | 10.1021/np030104y |
| Homo sapiens | M14 | GI50 | 100.0 | nM | 10.1021/np030104y |
| Homo sapiens | M14 | LC50 | 500.0 | nM | 10.1021/np030104y |
| Homo sapiens | M14 | TGI | 200.0 | nM | 10.1021/np030104y |
| Homo sapiens | Malme-3M | GI50 | 30.0 | nM | 10.1021/np030104y |
| Homo sapiens | Malme-3M | LC50 | 300.0 | nM | 10.1021/np030104y |
| Homo sapiens | Malme-3M | TGI | 100.0 | nM | 10.1021/np030104y |
| Homo sapiens | MCF7 | GI50 | 1000.0 | nM | 10.1021/np030104y |
| Homo sapiens | MCF7 | LC50 | 100000.0 | nM | 10.1021/np030104y |
| Homo sapiens | MCF7 | TGI | 3300.0 | nM | 10.1021/np030104y |
| Homo sapiens | MDA-MB-231 | GI50 | 3300.0 | nM | 10.1021/np030104y |
| Homo sapiens | MDA-MB-231 | LC50 | 100000.0 | nM | 10.1021/np030104y |
| Homo sapiens | MDA-MB-231 | TGI | 29600.0 | nM | 10.1021/np030104y |
| Homo sapiens | MDA-MB-435 | GI50 | 200.0 | nM | 10.1021/np030104y |
| Homo sapiens | MDA-MB-435 | LC50 | 600.0 | nM | 10.1021/np030104y |
| Homo sapiens | MDA-MB-435 | TGI | 300.0 | nM | 10.1021/np030104y |
| Homo sapiens | MDA-N | GI50 | 200.0 | nM | 10.1021/np030104y |
| Homo sapiens | MDA-N | LC50 | 600.0 | nM | 10.1021/np030104y |
| Homo sapiens | MDA-N | TGI | 300.0 | nM | 10.1021/np030104y |
| Homo sapiens | MOLT-4 | GI50 | 1400.0 | nM | 10.1021/np030104y |
| Homo sapiens | MOLT-4 | LC50 | 5600.0 | nM | 10.1021/np030104y |
| Homo sapiens | MOLT-4 | TGI | 2900.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI/ADR-RES | GI50 | 1400.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI/ADR-RES | LC50 | 15300.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI/ADR-RES | TGI | 3900.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H226 | GI50 | 1400.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H226 | LC50 | 8400.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H226 | TGI | 3500.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H23 | GI50 | 100.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H23 | LC50 | 700.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H23 | TGI | 300.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H322M | GI50 | 1100.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H322M | LC50 | 4700.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H322M | TGI | 2200.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H460 | GI50 | 200.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H460 | LC50 | 5500.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H460 | TGI | 800.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H522 | GI50 | 1100.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H522 | LC50 | 5200.0 | nM | 10.1021/np030104y |
| Homo sapiens | NCI-H522 | TGI | 2400.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-3 | GI50 | 200.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-3 | LC50 | 3200.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-3 | TGI | 600.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-4 | GI50 | 1300.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-4 | LC50 | 5600.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-4 | TGI | 2700.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-5 | GI50 | 1200.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-5 | LC50 | 4900.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-5 | TGI | 2400.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-8 | GI50 | 700.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-8 | LC50 | 84800.0 | nM | 10.1021/np030104y |
| Homo sapiens | OVCAR-8 | TGI | 7600.0 | nM | 10.1021/np030104y |
| Homo sapiens | PC-3 | GI50 | 1600.0 | nM | 10.1021/np030104y |
| Homo sapiens | PC-3 | LC50 | 26600.0 | nM | 10.1021/np030104y |
| Homo sapiens | PC-3 | TGI | 5900.0 | nM | 10.1021/np030104y |
| Homo sapiens | RXF 393 | GI50 | 2400.0 | nM | 10.1021/np030104y |
| Homo sapiens | RXF 393 | LC50 | 45200.0 | nM | 10.1021/np030104y |
| Homo sapiens | RXF 393 | TGI | 6900.0 | nM | 10.1021/np030104y |
| Homo sapiens | SF-268 | GI50 | 1700.0 | nM | 10.1021/np030104y |
| Homo sapiens | SF-268 | LC50 | 21500.0 | nM | 10.1021/np030104y |
| Homo sapiens | SF-268 | TGI | 5500.0 | nM | 10.1021/np030104y |
| Homo sapiens | SF-295 | GI50 | 300.0 | nM | 10.1021/np030104y |
| Homo sapiens | SF-295 | LC50 | 4000.0 | nM | 10.1021/np030104y |
| Homo sapiens | SF-295 | TGI | 1600.0 | nM | 10.1021/np030104y |
| Homo sapiens | SF-539 | GI50 | 1100.0 | nM | 10.1021/np030104y |
| Homo sapiens | SF-539 | LC50 | 6400.0 | nM | 10.1021/np030104y |
| Homo sapiens | SF-539 | TGI | 2700.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-MEL-2 | GI50 | 700.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-MEL-2 | LC50 | 5300.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-MEL-2 | TGI | 2200.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-MEL-28 | GI50 | 1000.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-MEL-28 | LC50 | 6700.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-MEL-28 | TGI | 2600.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-MEL-5 | GI50 | 100.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-MEL-5 | LC50 | 500.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-MEL-5 | TGI | 300.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-OV-3 | GI50 | 2700.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-OV-3 | LC50 | 47100.0 | nM | 10.1021/np030104y |
| Homo sapiens | SK-OV-3 | TGI | 13800.0 | nM | 10.1021/np030104y |
| Homo sapiens | SN12C | GI50 | 500.0 | nM | 10.1021/np030104y |
| Homo sapiens | SN12C | LC50 | 5500.0 | nM | 10.1021/np030104y |
| Homo sapiens | SN12C | TGI | 1800.0 | nM | 10.1021/np030104y |
| Homo sapiens | SNB-19 | GI50 | 1600.0 | nM | 10.1021/np030104y |
| Homo sapiens | SNB-19 | LC50 | 7000.0 | nM | 10.1021/np030104y |
| Homo sapiens | SNB-19 | TGI | 3300.0 | nM | 10.1021/np030104y |
| Homo sapiens | SNB-75 | GI50 | 200.0 | nM | 10.1021/np030104y |
| Homo sapiens | SNB-75 | LC50 | 5300.0 | nM | 10.1021/np030104y |
| Homo sapiens | SNB-75 | TGI | 900.0 | nM | 10.1021/np030104y |
| Homo sapiens | SR | GI50 | 200.0 | nM | 10.1021/np030104y |
| Homo sapiens | SR | LC50 | 3700.0 | nM | 10.1021/np030104y |
| Homo sapiens | SR | TGI | 1300.0 | nM | 10.1021/np030104y |
| Homo sapiens | SW-620 | GI50 | 700.0 | nM | 10.1021/np030104y |
| Homo sapiens | SW-620 | LC50 | 4900.0 | nM | 10.1021/np030104y |
| Homo sapiens | SW-620 | TGI | 2000.0 | nM | 10.1021/np030104y |
| Homo sapiens | T47D | GI50 | 1300.0 | nM | 10.1021/np030104y |
| Homo sapiens | T47D | LC50 | 100000.0 | nM | 10.1021/np030104y |
| Homo sapiens | T47D | TGI | 3200.0 | nM | 10.1021/np030104y |
| Homo sapiens | TK-10 | GI50 | 1500.0 | nM | 10.1021/np030104y |
| Homo sapiens | TK-10 | LC50 | 5600.0 | nM | 10.1021/np030104y |
| Homo sapiens | TK-10 | TGI | 2900.0 | nM | 10.1021/np030104y |
| Homo sapiens | U-251 | GI50 | 1000.0 | nM | 10.1021/np030104y |
| Homo sapiens | U-251 | LC50 | 4700.0 | nM | 10.1021/np030104y |
| Homo sapiens | U-251 | TGI | 2200.0 | nM | 10.1021/np030104y |
| Homo sapiens | UACC-257 | GI50 | 200.0 | nM | 10.1021/np030104y |
| Homo sapiens | UACC-257 | LC50 | 2900.0 | nM | 10.1021/np030104y |
| Homo sapiens | UACC-257 | TGI | 700.0 | nM | 10.1021/np030104y |
| Homo sapiens | UACC-62 | GI50 | 200.0 | nM | 10.1021/np030104y |
| Homo sapiens | UACC-62 | LC50 | 4100.0 | nM | 10.1021/np030104y |
| Homo sapiens | UACC-62 | TGI | 600.0 | nM | 10.1021/np030104y |
| Homo sapiens | UO-31 | GI50 | 1300.0 | nM | 10.1021/np030104y |
| Homo sapiens | UO-31 | LC50 | 5700.0 | nM | 10.1021/np030104y |
| Homo sapiens | UO-31 | TGI | 2800.0 | nM | 10.1021/np030104y |
| Mus musculus | P388 | IC50 | 0.323 | ug.mL-1 | 10.1021/np030104y |
| Mus musculus | P388 | IC50 | 0.323 | ug.mL-1 | 10.1021/np070255r |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 60.0 | ug | 10.1021/np030104y |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 3.9 | ug | 10.1021/np030104y |
| None | ADMET | Activity | nan | None | 10.1021/np030104y |
| None | NON-PROTEIN TARGET | GI50 | 1500.0 | nM | 10.1021/np030104y |
| None | NON-PROTEIN TARGET | GI50 | 5100.0 | nM | 10.1021/np030104y |
| None | NON-PROTEIN TARGET | LC50 | 100000.0 | nM | 10.1021/np030104y |
| None | NON-PROTEIN TARGET | TGI | 4900.0 | nM | 10.1021/np030104y |
| None | NON-PROTEIN TARGET | TGI | 100000.0 | nM | 10.1021/np030104y |