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Compound Detail

CHEMBL3771377

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NC(=O)c1ccc[n+](CC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3771377
Phase Preclinical
Structure Type MOL
InChI Key UHVPFWIMNGFPLU-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
2.91
ALogP
4
HBA
2
HBD
89.0
PSA (Ų)
0.49
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 C22H19N4O2S+
MW 403.49
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.43

Data from ChEMBL 36 via Core Engine