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Compound Detail

CHEMBL3785378

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CCN1CCC[C@H](CNCc2cc(C(=O)O)ccn2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3785378
Phase Preclinical
Structure Type MOL
InChI Key SESICOAOPDFZFN-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
1.13
ALogP
4
HBA
2
HBD
82.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N3O3
MW 291.35
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 2B 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 5B 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 6A 1

Data from ChEMBL 36 via Core Engine