UCSF

ZINC00404450

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 Yes

Popular Name: Alpha-methyltryptamine Alpha-methyltryptamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 299-26-3 , 879-36-7 , [299-26-3] , [879-36-7]

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) 1.47 4.01 -42.63 4 2 1 43 175.255 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.15e+00 g/l DrugBank-experimental
mechanism 5-HT2A receptor agonist IBScreen Bioactives IBScreen Bioactives
Mp [°C] 97 - 101 Acros Organics
H phrase H300: Fatal if swallowed Acros Organics
H phrase H300: Fatal if swallowed; H310: Fatal in contact with skin; H330: Fatal if inhaled Acros Organics
mechanism Monoamine oxidase inhibitor and a stimulant IBScreen Bioactives
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; P302 + P350: IF ON SKIN: Gently Acros Organics
biological_use Psychostimulant IBScreen Bioactives IBScreen Bioactives
biological_use Psychotonic IBScreen Bioactives
R phrase R26/27/28: Very toxic by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
mechanism Sympathomimetic IBScreen Bioactives
Hazard T+: Very toxic Acros Organics

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 530 0.68 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 530 0.68 Binding ≤ 1μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 530 0.68 Binding ≤ 10μM

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