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Compound Detail

CHEMBL188827

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O=c1ccn([C@@H]2O[C@H](CO)C(OC3Sc4ccccc4S3)[C@@H]2OC2Sc3ccccc3S2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL188827
Phase Preclinical
Structure Type MOL
InChI Key IHWWTJMVLHEJIS-LIOPKTPTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

548.7
MW (Da)
3.56
ALogP
11
HBA
2
HBD
102.8
PSA (Ų)
0.48
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N2O6S4
MW 548.69
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.46

Literature References

PubMed DOI Target Context # Activities
15456271 10.1021/jm049677d ADMET 4

Data from ChEMBL 36 via Core Engine