UCSF

ZINC28523732

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 34 Yes

Popular Name: (2R)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(p-tolyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine (2R)-2-(4-cyclohexylpiperazin-1-…

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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) 6.30 15.03 -121.14 3 3 2 24 475.643 9 ↓
Mid Mid (pH 6-8) 6.30 12.75 -53.61 2 3 1 23 474.635 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCR3-1-E C-C Chemokine Receptor Type 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 545 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CCR3_HUMAN P51677 C-C Chemokine Receptor Type 3, Human 545 0.26 Binding ≤ 1μM
CCR3_HUMAN P51677 C-C Chemokine Receptor Type 3, Human 545 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Chemokine receptors bind chemokines
G alpha (i) signalling events

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