UCSF

ZINC03952532

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 39 No

Other Names:

relin

Tabimorelin (INN)

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) 3.90 -0.55 -51.42 4 7 1 97 529.705 11

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GHSR-1-E Ghrelin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.31 Binding ≤ 10μM
GHSR-1-E Ghrelin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.31 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 3 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GHSR_HUMAN Q92847 Ghrelin Receptor, Human 3 0.31 Binding ≤ 1μM
GHSR_HUMAN Q92847 Ghrelin Receptor, Human 3 0.31 Binding ≤ 10μM
GHSR_RAT O08725 Ghrelin Receptor, Rat 18 0.28 Functional ≤ 10μM
GHSR_HUMAN Q92847 Ghrelin Receptor, Human 3 0.31 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 2.7 0.31 Functional ≤ 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% )