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Compound Detail

CHEMBL3546948

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Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5ccc(CN6CCOCC6)o5)cc34)cc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546948
Phase Preclinical
Structure Type MOL
InChI Key KYIOPHOSYULFRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

545.0
MW (Da)
6.84
ALogP
7
HBA
1
HBD
72.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H26ClFN4O3
MW 545.01
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.74

Data from ChEMBL 36 via Core Engine