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Compound Detail

CHEMBL1181982

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Cn1cc2c(nc(NC(=O)Nc3ccc[n+](C)c3)n3nc(-c4ccco4)nc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181982
Phase Preclinical
Structure Type MOL
InChI Key JLPJCDMYSOLSKQ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
1.74
ALogP
8
HBA
2
HBD
119.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N9O2+
MW 390.39
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -1.60

Data from ChEMBL 36 via Core Engine