UCSF

ZINC02511852

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 27 No

Popular Name: N'-(tert-Butyl )-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide N'-(tert-Butyl )-N'-(3,5-dimethy…

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CAS Numbers: 161050-58-4 , [161050-58-4]

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) 3.58 10.46 -13.22 1 5 0 59 368.477 5 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1661886; US2004053786; US2004235959; US2006111403; US2007027154; US2007225336; US2007264299; US2007298499; US2008275061; WO2005118552; WO2006023783; WO2006055922; WO2007109870; WO2008150393; WO2008154528 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECR-1-E Ecdysone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.36 Functional ≤ 10μM
O77240-1-E Ecdysone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 280 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ECR_BOMMO P49881 Ecdysone Receptor, Bommo 100 0.36 Functional ≤ 10μM
O77240_CHOFU O77240 Ecdysone Receptor, Chofu 280 0.34 Functional ≤ 10μM

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