UCSF

ZINC27197326

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 42 No

Popular Name: (E)-5-amino-N-[(1R)-2-[[(1R)-1-benzyl-2-(cyclopropylmethylamino)-2-oxo-ethyl]-methyl-amino]-1-(2-nap (E)-5-amino-N-[(1R)-2-[[(1R)-1-b…

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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) 4.77 15.23 -60.71 4 7 1 97 569.77 13 ↓

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 2 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GHSR_RAT O08725 Ghrelin Receptor, Rat 1.8 0.29 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% )