UCSF

ZINC00119434

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) 1.84 8.17 -53.77 1 4 1 34 335.427 0

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.697 Bitter DB
Mp [°C] 284 - 286 Acros Organics
Purity 95% Fluorochem
UniProt Database Links ACH10_HUMAN; ACH10_RAT; ACHA9_HUMAN; ACHA9_RAT; CP2BX_CAVPO; GLRA1_BOVIN; GLRA1_DANRE; GLRA1_HUMAN; GLRA1_MOUSE; GLRA1_RAT; GLRA2_HUMAN; GLRA2_MOUSE; GLRA2_RAT; GLRA3_HUMAN; GLRA3_MOUSE; GLRA3_RAT; GLRA4_HUMAN; GLRA4_MOUSE; GNAT3_BOVIN; GNAT3_HUMAN; GNAT3 ChEBI
Therapy central stimulant SMDC Pharmakon
PUBCHEM_PATENT_ID EP0161478A2; EP0174459A1; EP0423524A2; EP0423524A3; EP0631787A3; EP0631787B1; EP0635218A1; EP0635218B1; US3960757; US4494245; US4677109; US4810709; US5407921; US5785984 IBM Patent Data
Patent Database Links EP1391458; EP1547474; EP1559420; US2007207222; US2007248677; WO2007103687 ChEBI
H phrase H410: Very toxic to aquatic life with long lasting effects Acros Organics
H phrase H410: Very toxic to aquatic life with long lasting effects; H300: Fatal if swallowed; H310: Fatal in contact with skin Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P361: Remove/Take off immediately all contaminated clothing; P310: Immediately call a POISON Acros Organics
R phrase R27/28: Very toxic in contact with skin and if swallowed. Acros Organics
R phrase R27/28: Very toxic in contact with skin and if swallowed.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
Reactome Database Links REACT_15538; REACT_163726; REACT_22239; REACT_22289 ChEBI
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S60: This material and its container must be disposed of as hazardous waste.; S61: Avo Acros Organics
Hazard T+: Very toxic Acros Organics
Hazard T+: Very toxic; N: Dangerous for the environment Acros Organics
PUBCHEM_PATENT_ID US3988472; US4032660; US4499104 IBM Patent Data

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
G alpha (i) signalling events

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