UCSF

ZINC00596712

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 25 Yes

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) 3.49 0.71 -10.43 0 3 0 33 352.865 0

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH1-1-E Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 100 0.39 Binding ≤ 10μM
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 840 0.34 Binding ≤ 10μM
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 610 0.35 Functional ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 100 0.39 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 610 0.35 Functional ≤ 10μM
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 840 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH1_HUMAN P35367 Histamine H1 Receptor, Human 100 0.39 Binding ≤ 1μM
HRH1_RAT P31390 Histamine H1 Receptor, Rat 320 0.36 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 840 0.34 Binding ≤ 1μM
HRH1_HUMAN P35367 Histamine H1 Receptor, Human 100 0.39 Binding ≤ 10μM
HRH1_RAT P31390 Histamine H1 Receptor, Rat 320 0.36 Binding ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 840 0.34 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 100 0.39 Functional ≤ 10μM
Z50587 Z50587 Homo Sapiens 610 0.35 Functional ≤ 10μM
Z50592 Z50592 Oryctolagus Cuniculus 840 0.34 Functional ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 610 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (q) signalling events
Histamine receptors
Interferon gamma signaling

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