UCSF

ZINC40957853

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 36 Yes

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) 2.48 15.23 -10.52 0 5 0 72 506.333 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
STAT3-1-E Signal Transducer And Activator Of Transcription 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 130 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
STAT3_HUMAN P40763 Signal Transducer And Activator Of Transcription 3, Human 130 0.27 Binding ≤ 1μM
STAT3_HUMAN P40763 Signal Transducer And Activator Of Transcription 3, Human 130 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Downstream signal transduction
Growth hormone receptor signaling
Interleukin-6 signaling
POU5F1 (OCT4), SOX2, NANOG activate genes related to proliferation
Senescence-Associated Secretory Phenotype (SASP)
Signaling by FGFR1 fusion mutants
Signaling by Leptin
Signaling by SCF-KIT
Signalling to STAT3
Transcriptional regulation of pluripotent stem cells

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