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Compound Detail

CHEMBL4468323

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O=C1NCCn2c(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc3cncc1c32
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4468323
Phase Preclinical
Structure Type MOL
InChI Key VCRDTLJINKEJSZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

409.9
MW (Da)
2.85
ALogP
5
HBA
1
HBD
80.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20ClN5O2
MW 409.88
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
27561983 10.1016/j.bmc.2016.08.016 Poly [ADP-ribose] polymerase 2 1
27561983 10.1016/j.bmc.2016.08.016 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine