UCSF

ZINC66058888

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 35 Yes

Popular Name: 2-[[5-chloro-2-[[3-(2-methoxyethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]pyrimidin-4-yl]amino] 2-[[5-chloro-2-[[3-(2-methoxyeth…

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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) 4.69 13.27 -45.83 4 8 1 93 499.998 8 ↓
Mid Mid (pH 6-8) 4.69 11.27 -14.56 3 8 0 91 498.99 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
INSR-1-E Insulin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 230 0.27 Binding ≤ 10μM
MET-1-E Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 19 0.31 Binding ≤ 1μM
INSR_HUMAN P06213 Insulin Receptor, Human 230 0.27 Binding ≤ 1μM
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 19 0.31 Binding ≤ 10μM
INSR_HUMAN P06213 Insulin Receptor, Human 230 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Insulin receptor recycling
IRS activation
Sema4D mediated inhibition of cell attachment and migration
SHC activation
Signal attenuation
Signaling by Insulin receptor

Rings

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

No pre-computed analogs available. Try a structural similarity search.