UCSF

ZINC08445939

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2006 44 No

Popular Name: 3-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-N-(5-chloro-2-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide 3-amino-4-[4-(benzyloxy)-3-metho…

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Other Names:

MFCD02224959

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) 8.06 -1.42 -13.85 3 7 0 95 622.146 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLM2_PLAFA P46925 Plasmepsin 2, Plafa 1600 0.18 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.