UCSF

ZINC37381544

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 14 Yes

Popular Name: 2-(naphthalen-1-yl)cyclopropan-1-amine hydrochloride 2-(naphthalen-1-yl)cyclopropan-1…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1203-44-7 , 944-64-9

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) 2.58 6.19 -42.16 3 1 1 28 184.262 1 ↓
Hi High (pH 8-9.5) 2.58 5.89 -4.66 2 1 0 26 183.254 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KDM1A-1-E Lysine-specific Histone Demethylase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KDM1A_HUMAN O60341 Lysine-specific Histone Demethylase 1, Human 8000 0.51 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Factors involved in megakaryocyte development and platelet production
HDACs deacetylate histones
HDMs demethylate histones

Rings

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

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