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Compound Detail

CHEMBL3546949

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CN1CCN(Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546949
Phase Preclinical
Structure Type MOL
InChI Key FHRFXRXFROWCGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

558.1
MW (Da)
6.75
ALogP
7
HBA
1
HBD
66.7
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 C31H29ClFN5O2
MW 558.06
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -1.64

Data from ChEMBL 36 via Core Engine