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Compound Detail

CHEMBL4117235

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Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4c3OC(F)(F)O4)CC1)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117235
Phase Preclinical
Structure Type MOL
InChI Key KLNLTJFTGMITBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
2.57
ALogP
7
HBA
0
HBD
59.8
PSA (Ų)
0.74
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 C22H26F2N4O3
MW 432.47
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine