UCSF

ZINC00066085

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 5-Methyltryptamine hydrochloride 5-Methyltryptamine hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1010-95-3 , 1821-47-2 , 55795-89-6 , [1010-95-3] , [55795-89-6]

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) 1.50 4.05 -46.06 4 2 1 43 175.255 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 281 - 283 Acros Organics
Melting_Point 290-292? dec. Alfa-Aesar
Melting_Point 290-292° dec. Alfa-Aesar
Purity 95% Fluorochem
Purity 97% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1D-1-E Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.89 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT1D_HUMAN P28221 Serotonin 1d (5-HT1d) Receptor, Human 6.4 0.88 Binding ≤ 1μM
5HT1D_HUMAN P28221 Serotonin 1d (5-HT1d) Receptor, Human 6.4 0.88 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Serotonin receptors

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