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Compound Detail

CHEMBL4278189

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C[C@H](Nc1nc(Nc2ccnc(C3(C#N)CC3)c2)nc(-n2ccc(C(F)(F)F)n2)n1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4278189
Phase Preclinical
Structure Type MOL
InChI Key VXRYLBWUODLCCR-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.4
MW (Da)
4.13
ALogP
9
HBA
2
HBD
117.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15F6N9
MW 483.38
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.41

Data from ChEMBL 36 via Core Engine