UCSF

ZINC01650377

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 25 Yes

Popular Name: FTS FTS

Find On: PubMed — Wikipedia — Google

CAS Number: 162520-00-5

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) 7.26 15.85 -52.19 0 2 -1 40 357.539 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-2-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #2 Of 2), Eukaryotic Eukaryotes 2800 0.31 Binding ≤ 10μM
TRPA1-4-E Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #4 Of 6), Eukaryotic Eukaryotes 5000 0.30 Functional ≤ 10μM
Z80130-1-O EJ (Bladder Carcinoma Cells) (cluster #1 Of 2), Other Other 7500 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ICMT_RAT Q9WVM4 Isoprenylcysteine Carboxyl Methyltransferase, Rat 2800 0.31 Binding ≤ 10μM
Z80130 Z80130 EJ (Bladder Carcinoma Cells) 7500 0.29 Functional ≤ 10μM
TRPA1_HUMAN O75762 Transient Receptor Potential Cation Channel Subfamily A Member 1, Human 5000 0.30 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
TRP channels

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