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Compound Detail

CHEMBL5499052

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CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2ccccn2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499052
Phase Preclinical
Structure Type MOL
InChI Key VBRPYHSZRBMMQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
2.39
ALogP
8
HBA
3
HBD
131.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N7O3
MW 419.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.30

Data from ChEMBL 36 via Core Engine