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Compound Detail

CHEMBL2323223

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O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCc2cccc3c2C1CNC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323223
Phase Preclinical
Structure Type MOL
InChI Key MEYSIIARMBKDPD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
3.50
ALogP
4
HBA
2
HBD
78.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23FN4O2
MW 454.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.03

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23473053 10.1021/jm301825t ADMET 1
23473053 10.1021/jm301825t V79 1
23473053 10.1021/jm301825t Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine