UCSF

ZINC04654627

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2005 26 Yes

Popular Name: N-[1-(2-carbamoylpyrrolidin-1-yl)carbonyl-2-(3H-imidazol-4-yl)ethyl]-5-oxo-pyrrolidine-2-carboxamide N-[1-(2-carbamoylpyrrolidin-1-yl…

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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) -2.03 -0.6 -25.31 5 10 0 150 362.39 6 ↓
Mid Mid (pH 6-8) -2.03 -0.03 -55.1 6 10 1 152 363.398 6 ↓
Mid Mid (pH 6-8) -2.03 -0.04 -54.96 6 10 1 152 363.398 6 ↓

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 10 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRFR_MOUSE P21761 Thyrotropin-releasing Hormone Receptor, Mouse 0.68 0.49 Binding ≤ 1μM
TRFR_MOUSE P21761 Thyrotropin-releasing Hormone Receptor, Mouse 0.68 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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