UCSF

ZINC19418777

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 26 Yes

Popular Name: 4'-Fluoro-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido(4,3-b)indol-2-yl)butyrophenone hydrochloride; Abbott-30360; Butyrophenone, 4'-fluoro-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indol-2-yl)-hydrochloride; EINECS 250-688-3; LS-48363 4'-Fluoro-4-(8-fluoro-1,3,4,5-te…

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Other Names:

MFCD00044429

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) 3.19 9.76 -11.33 1 3 0 36 354.4 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 51 0.39 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 51 0.39 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 51 0.39 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 51 0.39 Binding ≤ 10μM
DRD2-4-E Dopamine D2 Receptor (cluster #4 Of 24), Eukaryotic Eukaryotes 51 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 51 0.39 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 51 0.39 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 51 0.39 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 51 0.39 Binding ≤ 1μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 51 0.39 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 51 0.39 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 51 0.39 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 51 0.39 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 51 0.39 Binding ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 51 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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