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Compound Detail

CHEMBL1300035

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CCOC(=O)c1cnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1300035
Phase Preclinical
Structure Type MOL
InChI Key LIXHUQBBNZCTCB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

485.5
MW (Da)
2.82
ALogP
9
HBA
2
HBD
119.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22F3N5O4S
MW 485.49
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -2.25

Data from ChEMBL 36 via Core Engine