UCSF

ZINC64540877

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 33 No

Popular Name: 1-[[[(1Z)-1-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]ethyl]amino]carbamothioyl]indol 1-[[[(1Z)-1-[1-(3,4-dimethylphen…

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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) 4.29 13.55 -61.26 2 8 -1 102 462.555 6 ↓
Hi High (pH 8-9.5) 4.33 14.12 -111.5 1 8 -2 103 461.547 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TPOR-1-E Thrombopoietin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 6 0.35 Binding ≤ 1μM
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 6 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Platelet Aggregation (Plug Formation)

Rings

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

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