UCSF

ZINC00607911

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 26 Yes

Popular Name: Glaucine Glaucine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 475-81-0 , 5630-11-5 , 5996-06-5

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.08 9.1 -50.22 1 5 1 41 356.442 4 ↓
Mid Mid (pH 6-8) 3.08 6.74 -10.4 0 5 0 40 355.434 4 ↓

Vendor Notes

Note Type Comments Provided By
biological_source Alkaloid from a wide variety of genera in the Annonaceae ( Alphonsea, Annona, Polyalthia, Schefferomitra, Uvaria ), Berberidaceae ( Berberis, Mahonia ), Euphorbiaceae ( Croton ZereneX Building Blocks
biological_use Antifungal agent IBScreen Bioactives
biological_use Antitussive agent with similar potency to Codeine. IBScreen Bioactives
Indications antitussive, bronchodilator, NSAID KeyOrganics Bioactives
mechanism PDE4 inhibitor IBScreen Bioactives
biological_use Shows antithrombotic, analgesic and antiinflammatory activity IBScreen Bioactives IBScreen Bioactives

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 2900 0.30 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 2800 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 2900 0.30 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 2800 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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