UCSF

ZINC64541137

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 35 No

Popular Name: 1-[[[(1E)-1-(1-indan-5-yl-3-methyl-5-oxo-pyrazol-4-ylidene)ethyl]amino]carbamothioyl]-3,4-dihydro-2H 1-[[[(1E)-1-(1-indan-5-yl-3-meth…

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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) 4.40 13.98 -68.27 2 8 -1 102 488.593 6 ↓
Hi High (pH 8-9.5) 4.44 15.21 -101.45 1 8 -2 103 487.585 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 35 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 35 0.30 Binding ≤ 1μM
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 35 0.30 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.