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Compound Detail

CHEMBL1184762

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CCN1CCS/C1=C\C=c1/s/c(=C\c2sc3c4ccccc4ccc3[n+]2CCC(=O)O)n(CC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184762
Phase Preclinical
Structure Type MOL
InChI Key NVKOJJHZLXCNJG-IINORCHSSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

538.7
MW (Da)
3.58
ALogP
7
HBA
1
HBD
66.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N3O3S3+
MW 538.74
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine