UCSF

ZINC13672762

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 Yes

Popular Name: N-[(4-chlorophenyl)methyl]-7-ethyl-2-(3-hydroxypropyl)-4-oxo-thieno[3,2-e]pyridine-5-carboxamide N-[(4-chlorophenyl)methyl]-7-eth…

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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) 3.17 8.9 -28.54 2 5 0 71 404.919 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOL-4-V Human Herpesvirus 6 DNA Polymerase (cluster #4 Of 4), Viral Viruses 670 0.32 Binding ≤ 10μM
Z80954-1-O HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other Other 2300 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPOL_HCMVA P08546 Human Herpesvirus 5 DNA Polymerase, Hcmva 670 0.32 Binding ≤ 1μM
DPOL_HCMVA P08546 Human Herpesvirus 5 DNA Polymerase, Hcmva 670 0.32 Binding ≤ 10μM
Z80954 Z80954 HFF (Foreskin Fibroblasts) 2300 0.29 Functional ≤ 10μM

Rings

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