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Compound Detail

CHEMBL1179746

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CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1CC(=O)Nc1ccc(S(=O)(=O)/N=c2/sc(S(N)(=O)=O)nn2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179746
Phase Preclinical
Structure Type MOL
InChI Key KCQUSTRLBHEXNM-QVAGMWBUSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

629.8
MW (Da)
3.26
ALogP
8
HBA
2
HBD
157.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N6O5S3+
MW 629.81
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.25

Data from ChEMBL 36 via Core Engine