UCSF

ZINC03996003

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 29 Yes

Popular Name: ALX 5407 HYDROCHLORIDE ALX 5407 HYDROCHLORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 200006-08-2 , 200006-08-2; 571147-18-7

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) 4.17 14.65 -40.03 1 4 0 54 393.458 9 ↓
Hi High (pH 8-9.5) 4.17 12.4 -47.95 0 4 -1 53 392.45 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GALR1-1-E Galanin Receptor Type 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.41 Binding ≤ 10μM
SC6A5-2-E Glycine Transporter 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 36 0.36 Binding ≤ 10μM
SC6A9-1-E Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.37 Binding ≤ 10μM
SC6A9-1-E Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 36 0.36 Binding ≤ 10μM
Z80539-1-O T98G (Glioblastoma Cells) (cluster #1 Of 1), Other Other 5 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GALR1_RAT Q62805 Galanin Receptor Type 1, Rat 3 0.41 Binding ≤ 1μM
SC6A9_HUMAN P48067 Glycine Transporter 1, Human 26 0.37 Binding ≤ 1μM
SC6A5_HUMAN Q9Y345 Glycine Transporter 2, Human 36.4 0.36 Binding ≤ 1μM
GALR1_RAT Q62805 Galanin Receptor Type 1, Rat 3 0.41 Binding ≤ 10μM
SC6A9_HUMAN P48067 Glycine Transporter 1, Human 26 0.37 Binding ≤ 10μM
SC6A5_HUMAN Q9Y345 Glycine Transporter 2, Human 36.4 0.36 Binding ≤ 10μM
Z80539 Z80539 T98G (Glioblastoma Cells) 4.8 0.40 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Na+/Cl- dependent neurotransmitter transporters
Peptide ligand-binding receptors

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

No pre-computed analogs available. Try a structural similarity search.