UCSF

ZINC49553036

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 37 Yes

Popular Name: N-[(4R)-2-cyclopropyl-5-oxo-spiro[1H-imidazole-4,2'-indane]-5'-yl]-2-[2-oxo-3-(2-pyridyl)benzimidazo N-[(4R)-2-cyclopropyl-5-oxo-spir…

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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) 2.78 10.98 -28.65 2 9 0 110 492.539 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CALRL-1-E Calcitonin Gene-related Peptide Type 1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2600 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CALRL_HUMAN Q16602 Calcitonin Gene-related Peptide Type 1 Receptor, Human 2600 0.21 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Calcitonin-like ligand receptors
G alpha (s) signalling events

Rings

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

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