| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 18 | Yes |
Popular Name: 3-Iodothyronamine 3-Iodothyronamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 788824-64-6 , 884320-54-1
3-Iodothyronamine-[ethylamino-1,1,2,2-2H4] hydrochloride
3-iodothyronamine; CPD-11405; T1AM
| 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) | 3.21 | 4.4 | -52.76 | 4 | 3 | 1 | 57 | 356.183 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TAAR1-2-E | Trace Amine-associated Receptor 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 33 | 0.58 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TAAR1_RAT | Q923Y9 | Trace Amine-associated Receptor1, Rat | 33 | 0.58 | Functional ≤ 10μM |
| TAAR1_MOUSE | Q923Y8 | Trace Amine-associated Receptor1, Mouse | 314 | 0.51 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Amine ligand-binding receptors | |
| G alpha (s) signalling events |
No pre-computed analogs available. Try a structural similarity search.
