UCSF

ZINC28469855

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 33 Yes

Popular Name: N-[[(3S)-1-[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]-3-piperidyl]methyl]-2-methoxy-benzamide N-[[(3S)-1-[1-[(3,4-dichlorophen…

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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) 5.59 12.36 -56.2 2 5 1 46 491.483 7 ↓
Hi High (pH 8-9.5) 5.59 12.55 -48.87 2 5 1 46 491.483 7 ↓
Lo Low (pH 4.5-6) 5.59 14.62 -131.36 3 5 2 47 492.491 7 ↓

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 92 0.30 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 92 0.30 Binding ≤ 1μM
CCR3_HUMAN P51677 C-C Chemokine Receptor Type 3, Human 92 0.30 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% )