UCSF

ZINC01608615

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 Yes

Popular Name: Ethyl 4-phenylpiperidine-4-carboxylate Ethyl 4-phenylpiperidine-4-carbo…

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CAS Numbers: 24465-45-0 , 77-17-8 , [24465-45-0] , [77-17-8]

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) 2.05 7.1 -41.54 2 3 1 43 234.319 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 1300 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 1300 0.48 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 1100 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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

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