UCSF

ZINC28522478

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 35 Yes

Popular Name: (2R)-2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine (2R)-2-(4-tert-butylphenyl)-N-[2…

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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) 6.47 13.3 -46.7 2 4 1 32 472.697 10 ↓
Mid Mid (pH 6-8) 6.47 15.26 -145.23 3 4 2 34 473.705 10 ↓

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 488 0.25 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 488 0.25 Binding ≤ 1μM
CCR3_HUMAN P51677 C-C Chemokine Receptor Type 3, Human 488 0.25 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% )