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Compound Detail

CHEMBL1179865

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CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179865
Phase Preclinical
Structure Type MOL
InChI Key BAOYJOYLDRTITD-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

503.6
MW (Da)
1.41
ALogP
7
HBA
3
HBD
148.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N6O4S2+
MW 503.63
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine