UCSF

ZINC01650576

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 22 No

Popular Name: TANSHINONE IIA TANSHINONE IIA

Find On: PubMed — Wikipedia — Google

CAS Numbers: 568-72-9 , [568-72-9]

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) 4.16 9.93 -9.85 0 3 0 47 294.35 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% APIChem
therap antineoplastic, bone resorption inhibitor, antiproliferative, apoptosis inducer MicroSource Spectrum
Target Lipase Selleck Chemicals
Target Nitric oxide synthase, endothelial(P29474)&NADPH oxidase 4(Q9NPH5) Herbal Ingredients Targets
Target Others Selleck Chemicals
Target Runt-related transcription factor 2(Q13950)&DNA-binding protein inhibitor ID-1(P41134)&Bone morphogenetic protein 4(P12644) Herbal Ingredients Targets
Target Tumor necrosis factor(P01375)&Interleukin-6(P05231)&Receptor tyrosine-protein kinase erbB-2(P04626)&Apoptosis regulator Bcl-2(P10415)&Bcl-2-like protein 1(Q07817)&Lymphotoxin-alpha(P01374)&Caspase-3(P42574)&G1/S-specific cyclin-D1(P24385)&G1/S-specific cy Herbal Ingredients Targets

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80026-1-O AGS (Gastric Adenocarcinoma Cells) (cluster #1 Of 2), Other Other 6800 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80026 Z80026 AGS (Gastric Adenocarcinoma Cells) 10000 0.32 Functional ≤ 10μM

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