UCSF

ZINC05966555

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 17 Yes

Popular Name: 2-Amino-4-(N-methylpiperazino)-5-methylthio-6-chloropyrimidine; 2-Amino-4-chloro-6-(4-methylpiperazino)-5-methylthiopyrimidine; BRN 0664333; LS-134627; Pyrimidine, 2-amino-4-chloro-6-(4-methylpiperazino)-5-methylthio- 2-Amino-4-(N-methylpiperazino)-5…

Find On: PubMed — Wikipedia — Google

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) 1.31 -3.74 -39.6 3 5 1 59 274.801 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-2-E Dopamine D1 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 120 0.57 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 120 0.57 Binding ≤ 10μM
DRD4-4-E Dopamine D4 Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 120 0.57 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.57 Binding ≤ 10μM
DRD2-6-E Dopamine D2 Receptor (cluster #6 Of 24), Eukaryotic Eukaryotes 120 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 120 0.57 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 120 0.57 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 120 0.57 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 120 0.57 Binding ≤ 1μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 120 0.57 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 120 0.57 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 120 0.57 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 120 0.57 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 120 0.57 Binding ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 120 0.57 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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