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Compound Detail

CHEMBL506793

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O=C(O)Cc1nc(CCCc2c(CCNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL506793
Phase Preclinical
Structure Type MOL
InChI Key VVXFKISHFJEADB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

683.2
MW (Da)
6.78
ALogP
7
HBA
2
HBD
127.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H35ClN4O5S
MW 683.23
Aromatic Rings 6
Heavy Atoms 48
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
18498150 10.1021/jm701467e Unchecked 1
18498150 10.1021/jm701467e Blood 1

Data from ChEMBL 36 via Core Engine