UCSF

ZINC28526445

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 29 Yes

Popular Name: 7-Methyl-2-morpholin-4-ylmethyl-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylicacid4-chloro-benzylamide 7-Methyl-2-morpholin-4-ylmethyl-…

Find On: PubMed — Wikipedia — Google

CAS Number: 292144-10-6

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) 2.63 8.29 -30.4 1 6 0 64 431.945 5 ↓

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 770 0.30 Binding ≤ 10μM
Z80583-1-O Vero (Kidney Cells) (cluster #1 Of 7), Other Other 800 0.29 Functional ≤ 10μM
Z80954-1-O HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other Other 800 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPOL_VZVD P09252 DNA Polymerase, Vzvd 770 0.30 Binding ≤ 1μM
DPOL_VZVD P09252 DNA Polymerase, Vzvd 770 0.30 Binding ≤ 10μM
DPOL_HHV11 P04293 Human Herpesvirus 1 DNA Polymerase, Hhv11 1200 0.29 Binding ≤ 10μM
DPOL_HCMVA P08546 Human Herpesvirus 5 DNA Polymerase, Hcmva 1100 0.29 Binding ≤ 10μM
Z80954 Z80954 HFF (Foreskin Fibroblasts) 1500 0.28 Functional ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 2100 0.27 Functional ≤ 10μM

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

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