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Compound Detail

CHEMBL1595661

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CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1595661
Phase Preclinical
Structure Type MOL
InChI Key UGTCIMFUAXAQPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
3.64
ALogP
8
HBA
1
HBD
103.1
PSA (Ų)
0.58
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 C23H31N3O6S
MW 477.58
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.70

Data from ChEMBL 36 via Core Engine