UCSF

ZINC04626640

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 19 Yes

Popular Name: CL-1848C CL-1848C

Find On: PubMed — Wikipedia — Google

CAS Number: 23239-37-4

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) 3.33 -1.57 -41.53 2 3 1 35 262.373 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0647137A1; EP1021204A2; US5446070; US5514680; US5620979; US5622952; US5656286; US5719197; US6024976; WO1994000124A1; WO1996040086A2; WO1999015210A2; WO2000048636A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-2-O Glutamate NMDA Receptor (cluster #2 Of 7), Other Other 107 0.51 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 5), Other Other 107 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 107 0.51 Binding ≤ 1μM
Z50597 Z50597 Rattus Norvegicus 107 0.51 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 107 0.51 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 107 0.51 Binding ≤ 10μM

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