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Compound Detail

CHEMBL3787547

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CCN(CC)CCCCNCc1cc(C=O)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787547
Phase Preclinical
Structure Type MOL
InChI Key NHIASYVLWXWKDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

263.4
MW (Da)
2.11
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N3O
MW 263.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
26710088 10.1021/acs.jmedchem.5b01758 NON-PROTEIN TARGET 2
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 2B 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 3A 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 3B 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 4A 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 4B 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 4C 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 5B 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 5C 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 6A 1
26710088 10.1021/acs.jmedchem.5b01758 Lysine-specific demethylase 6B 1
26710088 10.1021/acs.jmedchem.5b01758 MCF7 1

Data from ChEMBL 36 via Core Engine