UCSF

ZINC29226409

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 7 Yes

Popular Name: DNC014703 DNC014703

Find On: PubMed — Wikipedia — Google

CAS Number: 25346-09-2

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) -2.97 -3.61 -55.12 4 3 1 65 124.185 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GABR1-2-E GABA-B Receptor 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 60 1.44 Binding ≤ 10μM
GABR2-2-E GABA-B Receptor 2 (cluster #2 Of 3), Eukaryotic Eukaryotes 60 1.44 Binding ≤ 10μM
GBRR1-3-E GABA Receptor Rho-1 Subunit (cluster #3 Of 4), Eukaryotic Eukaryotes 4600 1.07 Functional ≤ 10μM
Z104301-8-O GABA-A Receptor; Anion Channel (cluster #8 Of 8), Other Other 470 1.27 Binding ≤ 10μM
Z50512-7-O Cavia Porcellus (cluster #7 Of 7), Other Other 1700 1.15 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 470 1.27 Binding ≤ 1μM
GABR1_RAT Q9Z0U4 GABA-B Receptor 1, Rat 60 1.44 Binding ≤ 1μM
GABR2_RAT O88871 GABA-B Receptor 2, Rat 60 1.44 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 470 1.27 Binding ≤ 10μM
GABR1_RAT Q9Z0U4 GABA-B Receptor 1, Rat 60 1.44 Binding ≤ 10μM
GABR2_RAT O88871 GABA-B Receptor 2, Rat 60 1.44 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 1700 1.15 Functional ≤ 10μM
GBRR1_HUMAN P24046 GABA Receptor Rho-1 Subunit, Human 4600 1.07 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
GABA A (rho) receptor activation
Ligand-gated ion channel transport

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

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