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Compound Detail

CHEMBL4802299

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CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nccc(OC)n2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802299
Phase Preclinical
Structure Type MOL
InChI Key XRWVUYRJQUAYSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
2.40
ALogP
9
HBA
3
HBD
140.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N7O4
MW 449.47
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.36

Data from ChEMBL 36 via Core Engine