UCSF

ZINC29046297

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 11 Yes

Popular Name: 2-(4-Bromophenyl)cyclopropanamine 2-(4-Bromophenyl)cyclopropanamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1228092-84-9 , 1306604-68-1 , 90561-75-4 , [90561-75-4]

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) 2.23 4.52 -48.54 3 1 1 28 213.098 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 201 - 203 Enamine Building Blocks
MP 201...203 Enamine Building Blocks
MP 202 - 204 Enamine Building Blocks
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 3700 0.69 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KDM1A_HUMAN O60341 Lysine-specific Histone Demethylase 1, Human 3700 0.69 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% )

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