UCSF

ZINC64539120

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 Yes

Popular Name: N-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-3-methoxy-benzamide N-[2-[4-(1,2-benzoxazol-3-yl)pip…

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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) 2.70 6.39 -18.64 1 7 0 71 380.448 6 ↓
Mid Mid (pH 6-8) 2.70 8.59 -61.27 2 7 1 72 381.456 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD4-2-E Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 2 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 1.93 0.44 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 1.93 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

Rings

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

No pre-computed analogs available. Try a structural similarity search.