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Compound Detail

CHEMBL4596398

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COc1c(C(=O)CCC2CCN(CC3CCCCC3)CC2)cc(Cl)c2c1ccn2S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596398
Phase Preclinical
Structure Type MOL
InChI Key OCRVFOOHQXMKBB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

557.2
MW (Da)
6.80
ALogP
6
HBA
0
HBD
68.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H37ClN2O4S
MW 557.16
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine