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Compound Detail

CHEMBL3546967

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CCOC(=O)N1CCN(Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546967
Phase Preclinical
Structure Type MOL
InChI Key FPFVOXIARGRQQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

616.1
MW (Da)
7.28
ALogP
8
HBA
1
HBD
93.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H31ClFN5O4
MW 616.09
Aromatic Rings 5
Heavy Atoms 44
NP-Likeness -1.69

Data from ChEMBL 36 via Core Engine