UCSF

ZINC40394543

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 30 Yes

Popular Name: N7-[3-chloro-4-(trifluoromethyl)phenyl]-N2-(2,6-dichlorophenyl)-Thiazolo[5,4-d]pyrimidine-2,7-diamine N7-[3-chloro-4-(trifluoromethyl)…

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CAS Number: 1000706-87-5

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) 7.76 12.59 -9.75 2 5 0 63 490.725 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 21 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_RAT O35433 Vanilloid Receptor, Rat 9 0.38 Functional ≤ 10μM
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 21 0.36 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
TRP channels

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

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