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Compound Detail

CHEMBL1184957

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C[N+]1(Cc2ccccc2-c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3ccc4onc(N)c4c3)c(F)c2)CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184957
Phase Preclinical
Structure Type MOL
InChI Key YFYULXBYLCXBAP-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

595.6
MW (Da)
5.65
ALogP
7
HBA
2
HBD
108.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H27F4N6O3+
MW 595.58
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine