UCSF

ZINC12504504

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 18 No

Popular Name: AS-605240 AS-605240

Find On: PubMed — Wikipedia — Google

CAS Number: 648450-29-7

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) 1.25 1.45 -10.51 1 5 0 76 257.274 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.11e-01 g/l DrugBank-experimental
Target PI3K Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CISD1-1-E CDGSH Iron-sulfur Domain-containing Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3260 0.43 Binding ≤ 10μM
Z80418-7-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #7 Of 9), Other Other 5310 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CISD1_HUMAN Q9NZ45 CDGSH Iron-sulfur Domain-containing Protein 1, Human 3260 0.43 Binding ≤ 10μM
Z80418 Z80418 RAW264.7 (Monocytic-macrophage Leukemia Cells) 5310 0.41 Functional ≤ 10μM

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