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Compound Detail

CHEMBL4302786

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O=C(O)CCN1CCC2(CC1)COc1cc(SCc3c(Cl)cccc3Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302786
Phase Preclinical
Structure Type MOL
InChI Key JTDFKMVLNUDKNA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.4
MW (Da)
5.49
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23Cl2NO3S
MW 452.40
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine