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Compound Detail

CHEMBL3752471

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O=C(O)CCNc1nc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(-n2cc3ccccc3n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752471
Phase Preclinical
Structure Type MOL
InChI Key WPYJAUVCWNRUBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

512.4
MW (Da)
4.34
ALogP
8
HBA
2
HBD
99.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23Cl2N7O2
MW 512.40
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
26776360 10.1016/j.bmcl.2016.01.006 Lysine-specific demethylase 6B 1

Data from ChEMBL 36 via Core Engine