UCSF

ZINC13674292

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 Yes

Popular Name: 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol 4-(4-chlorophenyl)-1-(4,4-diphen…

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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) 6.17 14.67 -43.17 2 2 1 25 421.004 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCR1-1-E C-C Chemokine Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 116 0.32 Binding ≤ 10μM
CCR1-1-E C-C Chemokine Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8700 0.24 Functional ≤ 10μM
US28-1-V Human Herpesvirus 5 Chemokine Receptor (cluster #1 Of 1), Viral Viruses 6500 0.24 Binding ≤ 10μM
US28-1-V Human Herpesvirus 5 Chemokine Receptor (cluster #1 Of 1), Viral Viruses 4200 0.25 Functional ≤ 10μM
Z80107-2-O COS-7 (Kidney Cells) (cluster #2 Of 2), Other Other 4200 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CCR1_HUMAN P32246 C-C Chemokine Receptor Type 1, Human 116 0.32 Binding ≤ 1μM
CCR1_HUMAN P32246 C-C Chemokine Receptor Type 1, Human 116 0.32 Binding ≤ 10μM
US28_HCMVA P69332 Human Herpesvirus 5 Chemokine Receptor, Hcmva 6500 0.24 Binding ≤ 10μM
CCR1_HUMAN P32246 C-C Chemokine Receptor Type 1, Human 8700 0.24 Functional ≤ 10μM
Z80107 Z80107 COS-7 (Kidney Cells) 4200 0.25 Functional ≤ 10μM
US28_HCMVA P69332 Human Herpesvirus 5 Chemokine Receptor, Hcmva 4200 0.25 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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