UCSF

ZINC49031227

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 32 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) 2.19 6.01 -128.69 6 7 2 100 449.477 10
Mid Mid (pH 6-8) 2.19 5.64 -45.58 5 7 1 99 448.469 10
Mid Mid (pH 6-8) 2.19 4.67 -49.66 5 7 1 96 448.469 10

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CARM1-1-E Histone-arginine Methyltransferase CARM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CARM1_MOUSE Q9WVG6 Histone-arginine Methyltransferase CARM1, Mouse 1000 0.26 Binding ≤ 1μM
CARM1_MOUSE Q9WVG6 Histone-arginine Methyltransferase CARM1, Mouse 1000 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
BMAL1:CLOCK,NPAS2 activates circadian gene expression
Circadian Clock
PPARA activates gene expression
Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp
REV-ERBA represses gene expression
RMTs methylate histone arginines
RORA activates circadian gene expression
Transcriptional activation of mitochondrial biogenesis
Transcriptional regulation of white adipocyte differentiation
YAP1- and WWTR1 (TAZ)-stimulated gene expression

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