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Compound Detail

CHEMBL96168

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Cc1nc2sccn2c(=O)c1CCN1CCN(C2CC(c3ccc(F)cc3)c3cc(Cl)ccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96168
Phase Preclinical
Structure Type MOL
InChI Key BZFNKUVKRNSKNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

523.1
MW (Da)
5.29
ALogP
6
HBA
0
HBD
40.9
PSA (Ų)
0.36
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28ClFN4OS
MW 523.08
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.28

Data from ChEMBL 36 via Core Engine