UCSF

ZINC34607931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 36 Yes

Popular Name: 2-[methyl(oxo)BLAHyl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-5'-yl]acetamide 2-[methyl(oxo)BLAHyl]-N-[(3S)-2-…

Find On: PubMed — Wikipedia — Google

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) 1.74 10.35 -23.54 2 8 0 95 479.54 3 ↓

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 10 0.31 Binding ≤ 10μM
CALRL-1-E Calcitonin Gene-related Peptide Type 1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 530 0.24 Functional ≤ 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 9.7 0.31 Binding ≤ 1μM
CALRL_HUMAN Q16602 Calcitonin Gene-related Peptide Type 1 Receptor, Human 9.7 0.31 Binding ≤ 10μM
CALRL_HUMAN Q16602 Calcitonin Gene-related Peptide Type 1 Receptor, Human 37 0.29 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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