UCSF

ZINC44677167

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 Yes

Popular Name: N-cyclopropyl-2-[[(1R,2S)-2-phenylcyclopropyl]amino]acetamide N-cyclopropyl-2-[[(1R,2S)-2-phen…

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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) 1.77 5.96 -42.56 3 3 1 46 231.319 5 ↓
Hi High (pH 8-9.5) 1.77 4.67 -8.36 2 3 0 41 230.311 5 ↓

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 6000 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KDM1A_HUMAN O60341 Lysine-specific Histone Demethylase 1, Human 6000 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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