UCSF

ZINC36160610

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 39 No

Popular Name: (7S,10R,13R)-13-[(4-hydroxyphenyl)methyl]-10-isopropyl-7-propyl-8,17-dioxa-5,11,14-triazabicyclo[16. (7S,10R,13R)-13-[(4-hydroxypheny…

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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) 4.21 7.96 -57.15 5 9 1 131 540.681 5 ↓
Mid Mid (pH 6-8) 4.21 6.77 -13.04 4 9 0 126 539.673 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTLR-1-E Motilin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1876 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTLR_HUMAN O43193 Motilin Receptor, Human 1876 0.21 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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

No pre-computed analogs available. Try a structural similarity search.