UCSF

ZINC49067303

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 30 Yes

Popular Name: 2-[1'-(4-isopropylcyclohexyl)-2-oxo-spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methyl-acetamide 2-[1'-(4-isopropylcyclohexyl)-2-…

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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) 4.95 10.93 -45.52 2 6 1 63 414.57 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 108 0.33 Binding ≤ 10μM
OPRX-1-E Nociceptin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 106 0.33 Binding ≤ 10μM
OPRX-1-E Nociceptin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 448 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 108 0.33 Binding ≤ 1μM
OPRX_HUMAN P41146 Nociceptin Receptor, Human 106 0.33 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 108 0.33 Binding ≤ 10μM
OPRX_HUMAN P41146 Nociceptin Receptor, Human 106 0.33 Binding ≤ 10μM
OPRX_HUMAN P41146 Nociceptin Receptor, Human 448 0.30 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G-protein activation
Opioid Signalling
Peptide ligand-binding receptors

Rings

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

No pre-computed analogs available. Try a structural similarity search.