UCSF

ZINC00482059

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 Yes

Popular Name: 7-chloro-3-phenyl-2H-1,2,4-benzothiadiazine 7-chloro-3-phenyl-2H-1,2,4-benzo…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01928795

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) 4.74 -1.01 -5.56 1 2 0 28 260.749 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KS6A3-1-E Ribosomal Protein S6 Kinase Alpha 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2880 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KS6A3_HUMAN P51812 Ribosomal Protein S6 Kinase Alpha 3, Human 2880 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CREB phosphorylation
CREB phosphorylation through the activation of Ras
ERK/MAPK targets
Gastrin-CREB signalling pathway via PKC and MAPK
Recycling pathway of L1
RSK activation
Senescence-Associated Secretory Phenotype (SASP)

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