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Compound Detail

CHEMBL5565866

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CC(C)(C)n1nc(-c2cccc(C(=O)NC3CC3)c2)c2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5565866
Phase Preclinical
Structure Type MOL
InChI Key VKOMKXJVPQXZKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.72
ALogP
6
HBA
2
HBD
98.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N6O
MW 350.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
38157838 10.1016/j.bmc.2023.117561 Unchecked 2

Data from ChEMBL 36 via Core Engine