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Compound Detail

CHEMBL1789725

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CN(C)S(=O)(=O)c1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2C2CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789725
Phase Preclinical
Structure Type MOL
InChI Key BBKCAKPNCLOJQV-DHIUTWEWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

602.7
MW (Da)
2.72
ALogP
8
HBA
4
HBD
162.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35FN4O7S
MW 602.69
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine