| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2008 | 32 | Yes |
Popular Name: Oxatomide Oxatomide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 60607-34-3 , [60607-34-3]
1-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-2H-benzimidazol-2-one
1-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-2-benzimidazolinone
1-[3-(4-Benzhydryl-piperazin-1-yl)-propyl]-1,3-dihydro-benzoimidazol-2-one
1-[3-[4-(Diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol-2-one
1-[3-[4-(Diphenylmethyl)-1-piperazinyl]propyl]-2-benzimidazolinone
2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-
2H-Benzimidazol-2-one, 1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-
2H-Benzimidazol-2-one, 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-
3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
| 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) | 4.51 | 13.66 | -45.59 | 2 | 5 | 1 | 45 | 427.572 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | Also a mediator release inhibitor via Ca influx inhibition mechanism | IBScreen Bioactives |
| biological_use | Antiasthmatic | IBScreen Bioactives IBScreen Bioactives |
| Indications | antihistamine | KeyOrganics Bioactives |
| biological_use | Antihistamine agent | IBScreen Bioactives |
| mechanism | Histamine H 1 receptor antagonist | IBScreen Bioactives IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 63 | 0.32 | Binding ≤ 10μM |
| HRH1-2-E | Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9 | 0.35 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3981 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 62.7 | 0.32 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 9 | 0.35 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 62.7 | 0.32 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 9 | 0.35 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3981.07171 | 0.24 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Histamine receptors |
No pre-computed analogs available. Try a structural similarity search.