UCSF

ZINC02000471

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 18 Yes

Popular Name: 1-Methyl-3-(2-(4-piperidinyl)ethyl)-1H-indole hydrochloride; 1H-Indole, 1-methyl-3-(2-(4-piperidinyl)ethyl)-, monohydrochloride; 4-(2-(1-Methyl-3-indolyl)-aethyl)-piperidin-hydrochlorid [German]; LS-83285 1-Methyl-3-(2-(4-piperidinyl)eth…

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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) 3.24 9.27 -43.32 2 2 1 22 243.374 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9WTR4-1-E Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic Eukaryotes 1300 0.46 Functional ≤ 10μM
SC6A4-1-E Serotonin Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 400 0.50 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9WTR4_RAT Q9WTR4 Norepinephrine Transporter, Rat 1300 0.46 Functional ≤ 10μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 400 0.50 Functional ≤ 10μM
SC6A4_RAT P31652 Serotonin Transporter, Rat 400 0.50 Functional ≤ 10μM

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