UCSF

ZINC01404966

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 21 No

Popular Name: 1-(6-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate 1-(6-methyl[1,3]thiazolo[3,2-b][…

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CAS Number: 477859-39-5

Other Names:

MFCD02083408

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) 2.63 -0.42 -10.52 1 6 0 68 302.359 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 154 KeyOrganics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM5-3-E Metabotropic Glutamate Receptor 5 (cluster #3 Of 5), Eukaryotic Eukaryotes 32 0.50 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM5_MOUSE Q3UVX5 Metabotropic Glutamate Receptor 5, Mouse 31.6227766 0.50 Functional ≤ 10μM
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 39.8107171 0.49 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
G alpha (q) signalling events

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

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