UCSF

ZINC04098919

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 30 Yes

Popular Name: PODOPHYLLOTOXIN PODOPHYLLOTOXIN

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4354-76-1 , 477-47-4 , 518-28-5 , 656820-32-5 , [477-47-4]

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) 1.32 5.13 -18.2 1 8 0 93 414.41 4 ↓

Vendor Notes

Note Type Comments Provided By
Therapy antineoplastic; 10% cytotoxicity of podophyllotoxin SMDC MicroSource
Target IGF-1R Selleck Chemicals
UniProt Database Links IGF1R_BOVIN; IGF1R_HUMAN; IGF1R_MOUSE; IGF1R_PIG; IGF1R_RAT ChEBI
therap Insulin growth factor 1 receptor inhibitor, antineoplastic MicroSource Spectrum

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 6000 0.24 Functional ≤ 10μM
Z80362-1-O P388 (Lymphoma Cells) (cluster #1 Of 8), Other Other 6000 0.24 Functional ≤ 10μM
Z80682-1-O A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other Other 6000 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80682 Z80682 A549 (Lung Carcinoma Cells) 60 0.34 Functional ≤ 10μM
Z80166 Z80166 HT-29 (Colon Adenocarcinoma Cells) 60 0.34 Functional ≤ 10μM
Z80362 Z80362 P388 (Lymphoma Cells) 60 0.34 Functional ≤ 10μM

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