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Compound Detail

CHEMBL3787193

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CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)OC)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787193
Phase Preclinical
Structure Type MOL
InChI Key GJWPNPLANZERGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
0.37
ALogP
6
HBA
1
HBD
74.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H26N4O3
MW 322.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 5B 2
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 2B 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 4C 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 6A 1
26710088 10.1021/acs.jmedchem.5b01758 MCF7 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 5C 1

Data from ChEMBL 36 via Core Engine