UCSF

ZINC69476344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 33 Yes

Other Names:

MFCD20265637

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) 3.04 9.92 -60.61 5 6 1 95 444.555 10
Hi High (pH 8-9.5) 3.04 9.6 -21.23 4 6 0 93 443.547 10

Vendor Notes

Note Type Comments Provided By
MP 139 TCI

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 2000 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KDM1A_HUMAN O60341 Lysine-specific Histone Demethylase 1, Human 2000 0.24 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.