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Compound Detail

CHEMBL580792

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COc1ccc2ncc(F)c(NC(=O)C3CCC(NCc4cc5c(F)cccc5[nH]4)CC3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL580792
Phase Preclinical
Structure Type MOL
InChI Key WBKSTZBXVWQAHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
4.69
ALogP
5
HBA
3
HBD
91.9
PSA (Ų)
0.38
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 C25H25F2N5O2
MW 465.50
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.36

Data from ChEMBL 36 via Core Engine