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Compound Detail

CHEMBL1412561

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O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1412561
Phase Preclinical
Structure Type MOL
InChI Key FRAPYWMVZGKZKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.9
MW (Da)
3.85
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19ClF3N3O2
MW 449.86
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine