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Compound Detail

CHEMBL4541368

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COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(NC(C)=O)cc3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4541368
Phase Preclinical
Structure Type MOL
InChI Key NRHNFDHMCDXWLD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
1.84
ALogP
7
HBA
3
HBD
145.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N6O4
MW 418.41
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
31376567 10.1016/j.ejmech.2019.07.054 NCI-H1975 1

Data from ChEMBL 36 via Core Engine