| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 36 | Yes |
Popular Name: MK 0364 MK 0364
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1204240-86-7 , 701977-09-5
701977-09-5; D09009; Taranabant (USAN/INN)
l]-2-methyl-2-[(5-(trifluoromethyl)pyridin-2-yl)oxy]propanamide
N-[(1S,2S)-3-(4-Chlorophenyl)-2-(3-cyanophenyl)-1-methylpropy
| 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) | 6.52 | 14.96 | -18.07 | 1 | 5 | 0 | 75 | 515.963 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1 | 0.35 | Binding ≤ 10μM |
| CNR2-1-E | Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 290 | 0.25 | Binding ≤ 10μM |
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.34 | Functional ≤ 10μM |
| CP2C9-1-E | Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.35 | ADME/T ≤ 10μM |
| CP2D6-1-E | Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.35 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 0.29 | 0.37 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 0.3 | 0.37 | Binding ≤ 1μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 285 | 0.25 | Binding ≤ 1μM |
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 0.29 | 0.37 | Binding ≤ 10μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 0.3 | 0.37 | Binding ≤ 10μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 1170 | 0.23 | Binding ≤ 10μM |
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 0.3 | 0.37 | Functional ≤ 10μM |
| CP2C9_HUMAN | P11712 | Cytochrome P450 2C9, Human | 0.93 | 0.35 | ADME/T ≤ 10μM |
| CP2D6_HUMAN | P10635 | Cytochrome P450 2D6, Human | 0.59 | 0.36 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| CYP2E1 reactions | |
| Fatty acids | |
| G alpha (i) signalling events | |
| Miscellaneous substrates | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Xenobiotics |
