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Compound Detail

CHEMBL1078861

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O=S(=O)(Nc1ccncc1NC1CCCCC1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1078861
Phase Preclinical
Structure Type MOL
InChI Key WLXQOIOMDMOUQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
3.09
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16F3N3O2S
MW 323.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.02

Data from ChEMBL 36 via Core Engine