In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2004 | 32 | Yes |
Popular Name: JTE907 JTE907
Find On: PubMed — Wikipedia — Google
CAS Numbers: 282089-49-0 , [282089-49-0]
N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-7-methoxy-8-(pentyloxy)quinoline-3-carboxamide
N-(Benzo[d][1,3]dioxol-5-ylmethyl)-7-Methoxy-2-oxo-8-(pentyloxy)-1,2-dihydro-quinolin-3-carboxamide
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) | 3.33 | 7.4 | -14.78 | 2 | 8 | 0 | 99 | 438.48 | 9 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 3924 | 0.24 | Binding ≤ 10μM |
CNR2-3-E | Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 36 | 0.33 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 0.1 | 0.44 | Binding ≤ 1μM |
CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 2370 | 0.25 | Binding ≤ 10μM |
CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 0.1 | 0.44 | Binding ≤ 10μM |
Description | Species |
---|---|
Class A/1 (Rhodopsin-like receptors) | |
G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.