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Compound Detail

CHEMBL1194746

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O=C1CNC(=O)N1CCCCCN1CC[C@@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194746
Phase Preclinical
Structure Type MOL
InChI Key VZBCXKCDQVCMFS-OFNKIYASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
4.00
ALogP
4
HBA
1
HBD
55.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28F2N4O2
MW 454.52
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine