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Compound Detail

CHEMBL4598401

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CCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)CCC(F)(F)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4598401
Phase Preclinical
Structure Type MOL
InChI Key PUDCDJFISLYZQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

565.5
MW (Da)
4.37
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27F8N3O3S
MW 565.53
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness -1.40

Data from ChEMBL 36 via Core Engine