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Compound Detail

CHEMBL296020

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OCC1CC(F)C(n2cnc3c(NOCc4ccccc4)ncnc32)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296020
Phase Preclinical
Structure Type MOL
InChI Key FGPKPIYKVHPCQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
1.99
ALogP
8
HBA
2
HBD
94.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18FN5O3
MW 359.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
8648601 10.1021/jm9509197 ADMET 1
8648601 10.1021/jm9509197 No relevant target 1

Data from ChEMBL 36 via Core Engine