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Compound Detail

CHEMBL5077111

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CCOC(=O)C1CCN(c2nccc(Nc3cc(-c4ccc(OC)cc4)no3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5077111
Phase Preclinical
Structure Type MOL
InChI Key BGRSRGLLGAFZGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
3.66
ALogP
9
HBA
1
HBD
102.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N5O4
MW 423.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.54

Data from ChEMBL 36 via Core Engine