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Compound Detail

CHEMBL1963338

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O=[N+]([O-])c1ncn(CCCCNc2ccnc3cc(C(F)(F)F)ccc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963338
Phase Preclinical
Structure Type MOL
InChI Key YSHGUYZQIDZXIA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.3
MW (Da)
3.65
ALogP
7
HBA
1
HBD
98.8
PSA (Ų)
0.38
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 C16H15F3N6O2
MW 380.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.89

Data from ChEMBL 36 via Core Engine