UCSF

ZINC05966959

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 19 Yes

Popular Name: 4-methyl-6-phenyl-4-azabicyclo[5.4.0]undeca-8,10,12-trien-9-ol 4-methyl-6-phenyl-4-azabicyclo[5…

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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) 3.02 -0.01 -43.46 2 2 1 24 254.353 1 ↓

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 6 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 6 0.61 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 197 0.49 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 6 0.61 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 197 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (s) signalling events

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

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