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Compound Detail

CHEMBL1182732

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Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[n+]4ccccc4)cc3F)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182732
Phase Preclinical
Structure Type MOL
InChI Key LHGHEUKAZKXIJE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

573.5
MW (Da)
6.01
ALogP
6
HBA
2
HBD
102.8
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 C30H21F4N6O2+
MW 573.53
Aromatic Rings 6
Heavy Atoms 42
NP-Likeness -1.42

Data from ChEMBL 36 via Core Engine