UCSF

ZINC02061133

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 26 Yes

Popular Name: N,N-diethyl-2-[[(4-fluorophenyl)sulfonyl](4-methylphenyl)amino]acetamide N,N-diethyl-2-[[(4-fluorophenyl)…

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Other Names:

MFCD01815644

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) 3.66 8.96 -11.55 0 5 0 58 378.469 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OX2R-1-E Orexin Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 346 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OX2R_HUMAN O43614 Orexin Receptor 2, Human 346 0.35 Binding ≤ 1μM
OX2R_HUMAN O43614 Orexin Receptor 2, Human 346 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Orexin and neuropeptides FF and QRFP bind to their respective receptors

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

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