UCSF

ZINC19802119

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 10 No

Popular Name: Dimaprit dihydrochloride Dimaprit dihydrochloride

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CAS Numbers: 23256-33-9 , 65119-89-3

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) 0.22 2.59 -83.65 5 3 2 56 163.29 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 161 - 163 Enamine Building Blocks
MP 161...163 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH4-4-E Histamine H4 Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 90 0.99 Binding ≤ 10μM
Z50512-7-O Cavia Porcellus (cluster #7 Of 7), Other Other 4600 0.75 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 316.227766 0.91 Binding ≤ 1μM
HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 316.227766 0.91 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 4600 0.75 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Histamine receptors

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

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