| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | Yes |
Popular Name: Indolo[2,1-b]quinazoline-6,12-dione Indolo[2,1-b]quinazoline-6,12-dione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13220-57-0 , [13220-57-0]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.61 | 7.46 | -12.15 | 0 | 4 | 0 | 51 | 248.241 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Isol. from the yeast Candida lipolytica grown in the presence of L-Trytophan. Also from Couroupita guianensis (Lecythidaceae), Isatis indigotica and Polygonum tiucforum | ZereneX Building Blocks |
| Purity | 95% | Fluorochem |
| biological_use | Active against Helicobacter pylori | IBScreen Bioactives |
| mechanism | AhR-Agonist | IBScreen Bioactives |
| biological_use | Antifungal and antimicrobial agent showing specific activity against dermatophytes | IBScreen Bioactives IBScreen Bioactives |
| Target | NF-kappa-B inhibitor alpha(P25963)&Transcription factor p65(Q04206)&Transcription factor AP-1(P05412) | Herbal Ingredients Targets |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH2-8-E | Cyclooxygenase-2 (cluster #8 Of 8), Eukaryotic | Eukaryotes | 64 | 0.53 | Binding ≤ 10μM |
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 9000 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH2_HUMAN | P35354 | Cyclooxygenase-2, Human | 64 | 0.53 | Binding ≤ 1μM |
| PGH2_HUMAN | P35354 | Cyclooxygenase-2, Human | 64 | 0.53 | Binding ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 9000 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nicotinamide salvaging | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
