UCSF

ZINC14557836

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 24 No

Other Names:

DNC009482

Isobavachromene

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) 4.24 6.76 -11.99 2 4 0 67 322.36 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DCOR-2-E Ornithine Decarboxylase (cluster #2 Of 3), Eukaryotic Eukaryotes 4700 0.31 Binding ≤ 10μM
Z50425-11-O Plasmodium Falciparum (cluster #11 Of 22), Other Other 3360 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DCOR_HUMAN P11926 Ornithine Decarboxylase, Human 4700 0.31 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 3360 0.32 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of polyamines
Regulation of ornithine decarboxylase (ODC)

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