UCSF

ZINC00140725

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 21 Yes

Popular Name: 2-[5-(Benzyloxy)-2-methylindol-3-yl]ethylamine hydrochloride 2-[5-(Benzyloxy)-2-methylindol-3…

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CAS Number: 1147199-72-1

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) 2.92 7.12 -46.95 4 3 1 53 281.379 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPM8-1-E Transient Receptor Potential Cation Channel Subfamily M Member 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 2360 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPM8_HUMAN Q7Z2W7 Transient Receptor Potential Cation Channel Subfamily M Member 8, Human 1500 0.39 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
TRP channels

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

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