| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 22 | Yes |
Popular Name: DIMETHINDENE DIMETHINDENE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3614-69-5 , 5636-83-9 , [3614-69-5]
(+/-)-Dimetahindene;Dimethylpyrindene
1H-Indene-2-ethanamine, N,N-dimethyl-3-(1-(2-pyridinyl)ethyl)-, (Z)-2-butenedioate (1:1)
1H-Indene-2-ethanamine, N,N-dimethyl-3-[1-(2-pyridinyl)ethyl]-, (Z)-2-butenedioate (1:1)
2-(1-(2-(2-(Dimethylamino)ethyl)inden-3-yl)ethyl)pyridine maleate
2-(1-(2-(2-(Dimethylamino)ethyl)inden-3-yl)ethyl)pyridine maleate (1:1)
2-[1-[2-[2-(Dimethylamino)ethyl]inden-3-yl]ethyl]pyridine maleate (1:1)
3614-69-5; D01343; Dimethindene maleate (USAN); Dimetindene maleate (JAN); Forhistal maleate (TN)
5636-83-9; D07853; Dimethindene; Dimetindene (INN)
BAN); Dimethindene Maleate (USAN
Dimethindene maleate; Dimethindene Malenate
INN); Dimetindene Maleate (JAN)
N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
Pyridine, 2-(1-(2-(2-(dimethylamino)ethyl)inden-3-yl)ethyl)-, maleate (1:1)
Pyridine, 2-[1-[2-[2-(dimethylamino)ethyl]inden-3-yl]ethyl]-, maleate (1:1)
| 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) | 3.36 | 2.2 | -38.96 | 1 | 2 | 1 | 17 | 293.434 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 2.47 | -97.98 | 2 | 2 | 2 | 18 | 294.442 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.84e-02 g/l | DrugBank-approved |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-1-E | Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 2 | 0.55 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 900 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 900 | 0.38 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 0.4 | 0.60 | Binding ≤ 1μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 2.4 | 0.55 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 900 | 0.38 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 0.4 | 0.60 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 2.4 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Histamine receptors | |
| Muscarinic acetylcholine receptors | |
| Voltage gated Potassium channels |
No pre-computed analogs available. Try a structural similarity search.