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Compound Detail

CHEMBL1963299

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COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCNC[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963299
Phase Preclinical
Structure Type MOL
InChI Key CLBCWRSUIAHSED-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
2.93
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.62
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 C21H23F3N6O
MW 432.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine