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Compound Detail

CHEMBL4280159

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CC[C@H](Nc1nc(N[C@@H](CC)C(F)(F)F)nc(-c2cncc(C(F)(F)F)n2)n1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4280159
Phase Preclinical
Structure Type MOL
InChI Key PVRJPVONIMLLSK-IUCAKERBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.3
MW (Da)
4.85
ALogP
7
HBA
2
HBD
88.5
PSA (Ų)
0.55
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 C16H16F9N7
MW 477.33
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine