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Compound Detail

CHEMBL1179401

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Cc1cc(C(C)(C)C)[n+](-c2ccc(S(=O)(=O)Nc3nnc(S(N)(=O)=O)s3)cc2)c(C(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179401
Phase Preclinical
Structure Type MOL
InChI Key RTDKCBFGVNJKCZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

524.7
MW (Da)
3.17
ALogP
7
HBA
2
HBD
136.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N5O4S3+
MW 524.71
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.32

Data from ChEMBL 36 via Core Engine