UCSF

ZINC04165898

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 34 No

Popular Name: Ecdysterone Ecdysterone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5289-74-7 , [5289-74-7]

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) 1.36 -2.19 -12.25 6 7 0 138 480.642 5 ↓
Ref Reference (pH 7) 1.36 -1.9 -11.75 6 7 0 138 480.642 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 242-244 °C Indofine
UniProt Database Links ACT2_DROME; CP18A_DROME; CP314_DROME; CU22_TENMO; FTZF1_BOMMO; HCD2_DROME; HOW_DROME; HR78_DROME; HR96_DROME; IDGFL_BOMMO; IMPE2_DROME; IMPL2_DROME; MRJP1_APIME; ORCH_ORCCA; STUB_DROME ChEBI
Therapy insect molting hormone SMDC MicroSource
Target Others Selleck Chemicals
Patent Database Links US2005266457; US2007265235; US2008216184 ChEBI
PUBCHEM_PATENT_ID US5609873 IBM Patent Data
Purity ¡Ý99.0% ( HPLC ) APIChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECR-2-E Ecdysone Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 46 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ECR_DROME P34021 Ecdysone Receptor, Drome 45.708819 0.30 Binding ≤ 1μM
ECR_DROME P34021 Ecdysone Receptor, Drome 45.708819 0.30 Binding ≤ 10μM
ECR_LUCCU O18531 Ecdysone Receptor, Luccu 5500 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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