UCSF

ZINC03787606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 22 Yes

Popular Name: LS-14255 LS-14255

Find On: PubMed — Wikipedia — Google

Other Names:

LS-190022

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) 2.34 -0.53 -51.34 2 4 1 46 294.378 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TOP1-1-E DNA Topoisomerase I (cluster #1 Of 1), Eukaryotic Eukaryotes 71 0.45 Functional ≤ 10μM
TOP2A-1-E DNA Topoisomerase II Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 71 0.45 Functional ≤ 10μM
TOP2B-1-E DNA Topoisomerase II Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 71 0.45 Functional ≤ 10μM
Z80017-2-O A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) (cluster #2 Of 2), Other Other 570 0.40 Functional ≤ 10μM
Z80125-1-O DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other Other 2300 0.36 Functional ≤ 10μM
Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 990 0.38 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 98 0.45 Functional ≤ 10μM
Z80224-5-O MCF7 (Breast Carcinoma Cells) (cluster #5 Of 14), Other Other 3800 0.34 Functional ≤ 10μM
Z80362-1-O P388 (Lymphoma Cells) (cluster #1 Of 8), Other Other 98 0.45 Functional ≤ 10μM
Z80493-3-O SK-OV-3 (Ovarian Carcinoma Cells) (cluster #3 Of 6), Other Other 980 0.38 Functional ≤ 10μM
Z80768-1-O CH1 (Ovarian Carcinoma Cells) (cluster #1 Of 1), Other Other 530 0.40 Functional ≤ 10μM
Z81034-6-O A2780 (Ovarian Carcinoma Cells) (cluster #6 Of 10), Other Other 510 0.40 Functional ≤ 10μM
Z81072-6-O Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other Other 580 0.40 Functional ≤ 10μM
Z81160-1-O Lewis Lung Carcinoma Cell Line (cluster #1 Of 1), Other Other 190 0.43 Functional ≤ 10μM
Z81167-1-O LLTC Cell Line (cluster #1 Of 1), Other Other 189 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81034 Z81034 A2780 (Ovarian Carcinoma Cells) 510 0.40 Functional ≤ 10μM
Z80017 Z80017 A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) 570 0.40 Functional ≤ 10μM
Z80768 Z80768 CH1 (Ovarian Carcinoma Cells) 480 0.40 Functional ≤ 10μM
TOP1_MOUSE Q04750 DNA Topoisomerase I, Mouse 190 0.43 Functional ≤ 10μM
TOP1_HUMAN P11387 DNA Topoisomerase I, Human 580 0.40 Functional ≤ 10μM
TOP2A_MOUSE Q01320 DNA Topoisomerase II Alpha, Mouse 190 0.43 Functional ≤ 10μM
TOP2A_HUMAN P11388 DNA Topoisomerase II Alpha, Human 580 0.40 Functional ≤ 10μM
TOP2B_MOUSE Q64511 DNA Topoisomerase II Beta, Mouse 190 0.43 Functional ≤ 10μM
TOP2B_HUMAN Q02880 DNA Topoisomerase II Beta, Human 580 0.40 Functional ≤ 10μM
Z80125 Z80125 DU-145 (Prostate Carcinoma) 2300 0.36 Functional ≤ 10μM
Z80166 Z80166 HT-29 (Colon Adenocarcinoma Cells) 990 0.38 Functional ≤ 10μM
Z81072 Z81072 Jurkat (Acute Leukemic T-cells) 300 0.42 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 105 0.44 Functional ≤ 10μM
Z81160 Z81160 Lewis Lung Carcinoma Cell Line 189 0.43 Functional ≤ 10μM
Z81167 Z81167 LLTC Cell Line 189 0.43 Functional ≤ 10μM
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 3800 0.34 Functional ≤ 10μM
Z80362 Z80362 P388 (Lymphoma Cells) 110 0.44 Functional ≤ 10μM
Z80493 Z80493 SK-OV-3 (Ovarian Carcinoma Cells) 2400 0.36 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G0 and Early G1

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