UCSF

ZINC49088854

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 25 Yes

Popular Name: 7-(2,2-dimethylpropyl)-5-(1-piperidyl)-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine 7-(2,2-dimethylpropyl)-5-(1-pipe…

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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) 3.09 8.26 -13.8 3 6 0 74 342.491 3 ↓
Mid Mid (pH 6-8) 3.09 8.73 -24.07 4 6 1 75 343.499 3 ↓
Lo Low (pH 4.5-6) 3.09 8.72 -23.72 4 6 1 75 343.499 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BRS3-1-E Bombesin Receptor Subtype-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 1057 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BRS3_HUMAN P32247 Bombesin Like Receptor 3, Human 10000 0.28 Functional ≤ 10μM
BRS3_RAT Q8K418 Bombesin Receptor Subtype-3, Rat 1057 0.33 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% )