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Compound Detail

CHEMBL484432

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CC(=O)Nc1c(-c2ccccc2)oc2ccccc2c1=O

Basic Information

ChEMBL ID CHEMBL484432
Phase Preclinical
Structure Type MOL
InChI Key DJNKYHOEYUEGAM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
3.42
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13NO3
MW 279.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
469554 10.1021/np50001a002 KB 1
469554 10.1021/np50001a002 CCRF S-180 1
469554 10.1021/np50001a002 L1210 1
469554 10.1021/np50001a002 CA-755 1
24116873 10.1021/jm401463y Poly [ADP-ribose] polymerase tankyrase-1 1

Data from ChEMBL 36 via Core Engine