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Compound Detail

CHEMBL1622597

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COc1ccc(-[n+]2cc(-c3ccc(OC(F)F)cc3)n3c2CCCCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622597
Phase Preclinical
Structure Type MOL
InChI Key PWXHPWQFRWRKBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
4.77
ALogP
3
HBA
0
HBD
27.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23F2N2O2+
MW 385.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine