UCSF

ZINC01543181

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 37 Yes

Popular Name: MK-677 MK-677

Find On: PubMed — Wikipedia — Google

CAS Numbers: 159634-47-6; 159752-10-0 , 159752-10-0

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) 1.92 -7.33 -60.43 4 9 1 123 529.683 8 ↓

Vendor Notes

Note Type Comments Provided By
Indications growth hormone secretagogue KeyOrganics Bioactives

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 32 0.28 Binding ≤ 10μM
GHRHR-1-E Growth Hormone-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.33 Functional ≤ 10μM
GHSR-1-E Ghrelin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.34 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 5), Other Other 0 0.00 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 2 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GHSR_HUMAN Q92847 Ghrelin Receptor, Human 0.14 0.37 Binding ≤ 1μM
Z50597 Z50597 Rattus Norvegicus 0.17 0.37 Binding ≤ 1μM
GHSR_HUMAN Q92847 Ghrelin Receptor, Human 0.14 0.37 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 0.17 0.37 Binding ≤ 10μM
GHSR_HUMAN Q92847 Ghrelin Receptor, Human 1.3 0.34 Functional ≤ 10μM
GHSR_RAT O08725 Ghrelin Receptor, Rat 1.3 0.34 Functional ≤ 10μM
GHRHR_RAT Q02644 Growth Hormone-releasing Hormone Receptor, Rat 1.5 0.33 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 0.6 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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