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Compound Detail

CHEMBL106451

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CN(CCCN1C(=O)CSC1c1cc(Cl)c(O)c(Cl)c1)CCOc1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106451
Phase Preclinical
Structure Type MOL
InChI Key NIDBQJCROFLCRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

499.4
MW (Da)
4.40
ALogP
7
HBA
1
HBD
71.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24Cl2N2O5S
MW 499.42
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
10447958 10.1021/jm9900927 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine