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Compound Detail

CHEMBL1963416

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COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)CCCNC(C)=O)C[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963416
Phase Preclinical
Structure Type MOL
InChI Key XLJBLGBRVMYMNE-GOTSBHOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

559.6
MW (Da)
3.08
ALogP
8
HBA
2
HBD
114.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32F3N7O3
MW 559.59
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine