UCSF

ZINC19411026

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 12 Yes

Popular Name: 1-(pyrrolidin-2-ylcarbonyl)pyrrolidine hydrochloride 1-(pyrrolidin-2-ylcarbonyl)pyrro…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1236267-58-5 , 202990-49-6 , N/A , [1236267-58-5]

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) 0.24 3.13 -36.72 2 3 1 37 169.248 1 ↓
Hi High (pH 8-9.5) 0.24 1.75 -7 1 3 0 32 168.24 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0232849A2; EP0232849B1; EP0731788A1; US4826870; US5198458 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPP4-2-E Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic Eukaryotes 2100 0.66 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPP4_HUMAN P27487 Dipeptidyl Peptidase IV, Human 2100 0.66 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1)
Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp

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