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Compound Detail

CHEMBL3546968

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

Basic Information

ChEMBL ID CHEMBL3546968
Phase Preclinical
Structure Type MOL
InChI Key CQCHWVJIDPPZIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

622.1
MW (Da)
6.08
ALogP
8
HBA
1
HBD
100.8
PSA (Ų)
0.21
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 C31H29ClFN5O4S
MW 622.12
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.82

Data from ChEMBL 36 via Core Engine