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Compound Detail

CHEMBL1963577

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

Basic Information

ChEMBL ID CHEMBL1963577
Phase Preclinical
Structure Type MOL
InChI Key JATRHWFLYQWVOP-PMACEKPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
3.18
ALogP
7
HBA
1
HBD
85.2
PSA (Ų)
0.59
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 C23H25F3N6O2
MW 474.49
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.45

Data from ChEMBL 36 via Core Engine