UCSF

ZINC00236050

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 18 Yes

Popular Name: 6-ethyl-4-(4-methyl-1-piperazinyl)thieno[2,3-d]pyrimidine 6-ethyl-4-(4-methyl-1-piperaziny…

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Other Names:

MFCD00652898

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) 2.21 8.65 -41.85 1 4 1 33 263.39 2 ↓
Mid Mid (pH 6-8) 2.21 6.3 -5.95 0 4 0 32 262.382 2 ↓

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 6600 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH4_HUMAN Q9H3N8 Histamine H4 Receptor, Human 6600 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Histamine receptors

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