UCSF

ZINC38579307

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 28 No

Popular Name: (5S)-5-methyl-1-(4-pyridylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione (5S)-5-methyl-1-(4-pyridylmethyl…

Find On: PubMed — Wikipedia — Google

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) 3.98 5.95 -14.44 0 7 0 88 413.377 5 ↓
Lo Low (pH 4.5-6) 3.98 6.41 -47.07 1 7 1 89 414.385 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IGF1R-1-E Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1600 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 1600 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
IRS-related events triggered by IGF1R
SHC-related events triggered by IGF1R
Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)

Rings

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