UCSF

ZINC49069054

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 28 Yes

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

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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) 3.03 9.43 -14.45 3 6 0 74 376.508 3 ↓
Hi High (pH 8-9.5) 3.02 9.42 -8.47 3 6 0 74 376.508 3 ↓
Mid Mid (pH 6-8) 3.03 9.89 -26.03 4 6 1 75 377.516 3 ↓
Mid Mid (pH 6-8) 3.03 11.69 -51.45 4 6 1 75 377.516 3 ↓
Lo Low (pH 4.5-6) 3.02 11.71 -55.81 4 6 1 75 377.516 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 854 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BRS3_HUMAN P32247 Bombesin Like Receptor 3, Human 10000 0.25 Functional ≤ 10μM
BRS3_RAT Q8K418 Bombesin Receptor Subtype-3, Rat 854 0.30 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% )