UCSF

ZINC56753307

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2011 29 Yes

Popular Name: (2S)-1-[(2R)-2-[(5S)-4,7-dioxo-3,6-diazaspiro[4.4]nonan-3-yl]-3-phenyl-propanoyl]pyrrolidine-2-carbo (2S)-1-[(2R)-2-[(5S)-4,7-dioxo-3…

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Annotations

Vendors

    None

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) 0.19 5.31 -28.68 3 8 0 113 398.463 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRFR-1-E Thyrotropin-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4400 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRFR_MOUSE P21761 Thyrotropin-releasing Hormone Receptor, Mouse 290 0.32 Binding ≤ 1μM
TRFR_MOUSE P21761 Thyrotropin-releasing Hormone Receptor, Mouse 290 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Peptide ligand-binding receptors

Rings

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