UCSF

ZINC14210459

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 40 No

Popular Name: (7S,10R,13R)-10-isopropyl-13-[(4-methoxyphenyl)methyl]-7-propyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4 (7S,10R,13R)-10-isopropyl-13-[(4…

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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) 3.99 7.46 -10.69 4 9 0 118 552.716 6 ↓

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 8 0.28 Binding ≤ 10μM
MTLR-1-E Motilin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 23 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTLR_HUMAN O43193 Motilin Receptor, Human 8 0.28 Binding ≤ 1μM
MTLR_HUMAN O43193 Motilin Receptor, Human 8 0.28 Binding ≤ 10μM
MTLR_HUMAN O43193 Motilin Receptor, Human 23 0.27 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% )