UCSF

ZINC20677058

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 19 No

Popular Name: 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride; 4-(1,2,3,4-Tetrahydroisoquinolin-1-ylmethyl)pyrocatechol hydrochloride; LS-136474; Pyrocatechol, 4-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-, hydrochloride 1-(3',4'-Dihydroxybenzyl)-1,2,3,…

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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) 2.51 2.9 -9.35 3 3 0 52 255.317 2 ↓
Mid Mid (pH 6-8) 2.51 4.12 -46.03 4 3 1 57 256.325 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 8790 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 8790 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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