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Compound Detail

CHEMBL1194434

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CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194434
Phase Preclinical
Structure Type MOL
InChI Key WRNGQBSCUWORIS-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

576.6
MW (Da)
5.11
ALogP
6
HBA
0
HBD
84.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36F4N2O5S
MW 576.65
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine