UCSF

ZINC08659933

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2007 23 Yes

Popular Name: CL-639C CL-639C

Find On: PubMed — Wikipedia — Google

CAS Number: 3666-69-1

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) 4.04 -1.22 -41.72 2 3 1 35 310.417 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0371085A1; EP0647137A1; EP1021204A2; EP1054998A1; US3962269; US4906638; US5446070; US5514680; US5620979; US5622952; US5656286; US5719197; US5760049; US5824684; US5900418; US5916903; US5981549; US6024976; US6166032; WO1989009209A1; WO1994000124A1; WO1995 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SGMR1-3-E Sigma Opioid Receptor (cluster #3 Of 6), Eukaryotic Eukaryotes 35 0.45 Binding ≤ 10μM
Z104302-2-O Glutamate NMDA Receptor (cluster #2 Of 7), Other Other 104 0.43 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 5), Other Other 112 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 104 0.43 Binding ≤ 1μM
Z50597 Z50597 Rattus Norvegicus 112 0.42 Binding ≤ 1μM
SGMR1_CAVPO Q60492 Sigma-1 Receptor, Guinea Pig 35 0.45 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 104 0.43 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 112 0.42 Binding ≤ 10μM
SGMR1_CAVPO Q60492 Sigma-1 Receptor, Guinea Pig 35 0.45 Binding ≤ 10μM

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