UCSF

ZINC43061959

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 32 Yes

Popular Name: DNC014100 DNC014100

Find On: PubMed — Wikipedia — Google

Other Names:

NVP-AEW541

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) 4.12 14.71 -45.63 3 6 1 70 426.544 6 ↓
Hi High (pH 8-9.5) 4.12 11.57 -9.27 2 6 0 69 425.536 6 ↓
Lo Low (pH 4.5-6) 4.12 15.19 -89.34 4 6 2 72 427.552 6 ↓

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 150 0.30 Binding ≤ 10μM
INSR-1-E Insulin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
INSR_MOUSE P15208 Insulin Receptor, Mouse 140 0.30 Binding ≤ 1μM
IGF1R_MOUSE Q60751 Insulin-like Growth Factor 1 Receptor, Mouse 150 0.30 Binding ≤ 1μM
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 86 0.31 Binding ≤ 1μM
INSR_MOUSE P15208 Insulin Receptor, Mouse 140 0.30 Binding ≤ 10μM
INSR_HUMAN P06213 Insulin Receptor, Human 2300 0.25 Binding ≤ 10μM
IGF1R_MOUSE Q60751 Insulin-like Growth Factor 1 Receptor, Mouse 150 0.30 Binding ≤ 10μM
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 86 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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