UCSF

ZINC64548434

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 17 Yes

Popular Name: N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine N,N-dimethyl-3-[(5-methyl-6,7-di…

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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) 1.67 5.31 -83.98 2 4 2 31 257.403 5 ↓
Hi High (pH 8-9.5) 1.67 0.71 -5.08 0 4 0 29 255.387 5 ↓
Mid Mid (pH 6-8) 1.67 3.18 -37.06 1 4 1 30 256.395 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH3-2-E Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 257 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH3_HUMAN Q9Y5N1 Histamine H3 Receptor, Human 257 0.54 Binding ≤ 1μM
HRH3_HUMAN Q9Y5N1 Histamine H3 Receptor, Human 257 0.54 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Histamine receptors

Rings

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

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