UCSF

ZINC13531907

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 Yes

Popular Name: 4-chloro-2-(3-pyridylcarbamoylamino)benzoic 4-chloro-2-(3-pyridylcarbamoylam…

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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) 2.77 4.45 -43.14 2 6 -1 94 290.686 3 ↓
Lo Low (pH 4.5-6) 2.77 4.74 -59.69 3 6 0 95 291.694 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRIK1-2-E Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 1200 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRIK1_HUMAN P39086 Glutamate Receptor Ionotropic Kainate 1, Human 1200 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Ca-permeable Kainate Receptor
Activation of Na-permeable Kainate Receptors

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

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