UCSF

ZINC26276818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 45 No

Popular Name: 1-[1-[5-fluoro-2-methoxy-4-[[1-(5-quinolyl)-4-piperidyl]oxy]benzoyl]-4-piperidyl]-4H-3,1-benzoxazin- 1-[1-[5-fluoro-2-methoxy-4-[[1-(…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 4.98 15.15 -23.81 0 9 0 84 610.686 6 ↓
Lo Low (pH 4.5-6) 4.98 15.57 -49.02 1 9 1 86 611.694 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXYR-1-E Oxytocin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXYR_HUMAN P30559 Oxytocin Receptor, Human 2.3 0.27 Binding ≤ 1μM
OXYR_HUMAN P30559 Oxytocin Receptor, Human 2.3 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Vasopressin-like receptors

Analogs ( Draw Identity 99% 90% 80% 70% )