| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2007 | 14 | Yes |
Popular Name: Amrinone Amrinone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 60719-84-8 , 75898-90-7 , [60719-84-8]
(3,4'-BIPYRIDIN)-6(1H)-ONE, 5-AMINO-
3-Amino-5-(4-pyridinyl)-2(1H)-pyridinone
3-amino-5-pyridin-4-yl-1H-pyridin-2-one
5-25-15-00181 (Beilstein Handbook Reference)
5-Amino(3,4'-bipyridin)-6(1H)-one
5-Amino-(3,4'-bipyridin)-6(1H)-one
5-Amino-(3,4'-bipyridine)-6(1H)-one
5-Amino-(3,4?-bipyridin)-6(1H)-one
5-Amino-1H-[3,4']bipyridinyl-6-one
5-amino-3,4'-bipyridin-6(1H)-one
5-Amino-[3,4'-bipyridin]-6(1H)-one
60719-84-8; Amcoral (TN); Amrinone (JAN/INN); D00231; Inamrinone (USP)
60719-84-8; Amrinone; Prestwick_44
75898-90-7; Amrinone lactate; C13594; Inamrinone lactate
75898-90-7; D02084; Inamrinone lactate; Inocor (TN)
Amrinona [inn-spanish];Amrinonum [inn-latin];Inamrinone;Inamrinone lactate
JAN); Inamrinone Lactate (FDA); Inamrinone (USAN
USAN); Inamrinone Lactate (FDA)
| 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) | 0.45 | 1.27 | -9.64 | 3 | 4 | 0 | 72 | 187.202 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.60e+00 g/l | DrugBank-approved |
| mechanism | cAMP agonist | IBScreen Bioactives |
| biological_use | Cardiac inotropic agent | IBScreen Bioactives |
| Therapy | cardiac stimulant | SMDC Iconix |
| Indications | congestive heart failure | KeyOrganics Bioactives |
| mechanism | Phosphodiesterase inhibitor | IBScreen Bioactives IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A-2-E | Phosphodiesterase 3A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4800 | 0.53 | Binding ≤ 10μM |
| PDE3B-2-E | Phosphodiesterase 3B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4800 | 0.53 | Binding ≤ 10μM |
| PDE4A-3-E | Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 4800 | 0.53 | Binding ≤ 10μM |
| PDE4B-2-E | Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4800 | 0.53 | Binding ≤ 10μM |
| PDE4C-2-E | Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4800 | 0.53 | Binding ≤ 10μM |
| PDE4D-2-E | Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4800 | 0.53 | Binding ≤ 10μM |
| Z50512-5-O | Cavia Porcellus (cluster #5 Of 7), Other | Other | 7400 | 0.51 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 4800 | 0.53 | Binding ≤ 10μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 4800 | 0.53 | Binding ≤ 10μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 4800 | 0.53 | Binding ≤ 10μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 4800 | 0.53 | Binding ≤ 10μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 4800 | 0.53 | Binding ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 4800 | 0.53 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 7400 | 0.51 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| cGMP effects | |
| DARPP-32 events | |
| G alpha (s) signalling events | |
| PDE3B signalling |
