UCSF

ZINC03960633

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 15 Yes

Popular Name: (R)-5-(Methylamino)-5,6-dihydro-1H-imidazo[4,5,1-ij]quinolin-2(4H)-one (R)-5-(Methylamino)-5,6-dihydro-…

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CAS Numbers: 179386-43-7 , 79386-43-7

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) 0.91 -2.89 -50.86 3 4 1 54 204.253 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1A-1-E Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 73 0.67 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2333 0.53 Binding ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 35 0.70 Functional ≤ 10μM
DRD2-23-E Dopamine D2 Receptor (cluster #23 Of 24), Eukaryotic Eukaryotes 9 0.75 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 9 0.75 Binding ≤ 1μM
5HT1A_HUMAN P08908 Serotonin 1a (5-HT1a) Receptor, Human 73 0.67 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 9 0.75 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 2333 0.53 Binding ≤ 10μM
5HT1A_HUMAN P08908 Serotonin 1a (5-HT1a) Receptor, Human 73 0.67 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 10.8 0.74 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 165 0.63 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events
Serotonin receptors

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