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Compound Detail

CHEMBL1182004

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C[N+](C)(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182004
Phase Preclinical
Structure Type MOL
InChI Key DJBYALCJSXJBHB-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

553.5
MW (Da)
5.88
ALogP
6
HBA
2
HBD
99.0
PSA (Ų)
0.20
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 C28H25F4N6O2+
MW 553.54
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -1.35

Data from ChEMBL 36 via Core Engine