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Compound Detail

CHEMBL1186514

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Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(S(N)(=O)=O)cc3c2-c2cccc(Br)c2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186514
Phase Preclinical
Structure Type MOL
InChI Key FABVMONGQZFVFR-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

514.4
MW (Da)
3.84
ALogP
3
HBA
3
HBD
108.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22BrN4O3S+
MW 514.43
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine