UCSF

ZINC03933425

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 38 No

Popular Name: 3-[4-[[[4-(4-chlorophenyl)thiazol-2-yl]-[4-(trifluoromethyl)phenyl]-amino]methyl]benzoyl]aminopropan 3-[4-[[[4-(4-chlorophenyl)thiazo…

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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) 6.15 1.76 -56.97 1 6 -1 85 558.989 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GIPR-1-E Gastric Inhibitory Polypeptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 990 0.22 Binding ≤ 10μM
GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 648 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GIPR_HUMAN P48546 Gastric Inhibitory Polypeptide Receptor, Human 990 0.22 Binding ≤ 1μM
GLR_MOUSE Q61606 Glucagon Receptor, Mouse 648 0.23 Binding ≤ 1μM
GLR_HUMAN P47871 Glucagon Receptor, Human 92 0.26 Binding ≤ 1μM
GIPR_HUMAN P48546 Gastric Inhibitory Polypeptide Receptor, Human 1100 0.22 Binding ≤ 10μM
GLR_HUMAN P47871 Glucagon Receptor, Human 92 0.26 Binding ≤ 10μM
GLR_RAT P30082 Glucagon Receptor, Rat 2700 0.21 Binding ≤ 10μM
GLR_MOUSE Q61606 Glucagon Receptor, Mouse 648 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
G alpha (s) signalling events
Glucagon signaling in metabolic regulation
Glucagon-type ligand receptors

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

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