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Compound Detail

CHEMBL4472164

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CCCN1CCC[C@@]1(C)c1nc2c(C(N)=O)c(F)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4472164
Phase Preclinical
Structure Type MOL
InChI Key YQOSZBMTUUFTBT-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.52
ALogP
3
HBA
2
HBD
75.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21FN4O
MW 304.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
27353531 10.1016/j.bmcl.2016.06.045 Poly [ADP-ribose] polymerase 1 2

Data from ChEMBL 36 via Core Engine