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Compound Detail

CHEMBL1179815

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Cc1cc(C)[n+](CC(=O)Nc2ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179815
Phase Preclinical
Structure Type MOL
InChI Key QAYAKBOPHPQBCX-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
0.84
ALogP
8
HBA
3
HBD
165.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N6O5S3+
MW 497.60
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.74

Data from ChEMBL 36 via Core Engine