UCSF

ZINC28455803

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 19 Yes

Popular Name: JNJ 10191584 JNJ 10191584

Find On: PubMed — Wikipedia — Google

CAS Numbers: 73903-17-0 , 73903-17-0; 869497-75-6 , 869497-75-6

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) 1.52 4.05 -5.7 1 5 0 52 278.743 1 ↓
Mid Mid (pH 6-8) 1.52 6.41 -40.72 2 5 1 53 279.751 1 ↓

Vendor Notes

Note Type Comments Provided By
Indications colitis KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH4-1-E Histamine H4 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 26 0.56 Binding ≤ 10μM
HRH4-1-E Histamine H4 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 530 0.46 Functional ≤ 10μM
Z100488-1-O Mast Cells (Bone-marrow Mast Cells) (cluster #1 Of 1), Other Other 138 0.51 Functional ≤ 10μM
Z100489-1-O Eosinophils (Eosinophils) (cluster #1 Of 1), Other Other 530 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 26 0.56 Binding ≤ 1μM
HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 26 0.56 Binding ≤ 10μM
Z100489 Z100489 Eosinophils (Eosinophils) 530 0.46 Functional ≤ 10μM
HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 138 0.51 Functional ≤ 10μM
Z100488 Z100488 Mast Cells (Bone-marrow Mast Cells) 138 0.51 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.