UCSF

ZINC36093030

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 33 Yes

Popular Name: 2-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]-1,3,4,9-tetrahydropyrido[3,4-b]ind 2-[3-[4-[[4-(trifluoromethyl)phe…

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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) 4.66 13.58 -107.24 3 4 2 28 458.572 7 ↓
Hi High (pH 8-9.5) 4.66 9.09 -7.41 1 4 0 26 456.556 7 ↓
Mid Mid (pH 6-8) 4.66 13.6 -123.96 3 4 2 28 458.572 7 ↓
Mid Mid (pH 6-8) 4.66 11.36 -46.92 2 4 1 27 457.564 7 ↓
Mid Mid (pH 6-8) 4.66 11.32 -46.35 2 4 1 27 457.564 7 ↓
Mid Mid (pH 6-8) 4.66 11.35 -48.08 2 4 1 27 457.564 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD2-23-E Dopamine D2 Receptor (cluster #23 Of 24), Eukaryotic Eukaryotes 1200 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 1200 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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