UCSF

ZINC28641215

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 28 Yes

CAS Number: 919486-40-1

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) 2.98 6.2 -14.27 5 7 0 113 397.866 8
Hi High (pH 8-9.5) 2.98 6.87 -50.73 4 7 -1 116 396.858 8
Mid Mid (pH 6-8) 2.98 6.56 -45.08 6 7 1 114 398.874 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
STAT6-1-E Signal Transducer And Activator Of Transcription 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 21 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
STAT6_HUMAN P42226 Signal Transducer And Activator Of Transcription 6, Human 21 0.38 Binding ≤ 1μM
STAT6_HUMAN P42226 Signal Transducer And Activator Of Transcription 6, Human 21 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Downstream signal transduction
STAT6-mediated induction of chemokines

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