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Compound Detail

CHEMBL3617769

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CCCNCc1ccc(-c2[nH]c3cccc4c3c2C(=O)NNC4=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617769
Phase Preclinical
Structure Type MOL
InChI Key CIRHWLRJJAMSEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.72
ALogP
3
HBA
4
HBD
86.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O2
MW 348.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
26342868 10.1016/j.bmcl.2015.08.060 NON-PROTEIN TARGET 1
26342868 10.1016/j.bmcl.2015.08.060 Poly [ADP-ribose] polymerase 1 1
26342868 10.1016/j.bmcl.2015.08.060 MCF7 1

Data from ChEMBL 36 via Core Engine