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Compound Detail

CHEMBL4597068

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COc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597068
Phase Preclinical
Structure Type MOL
InChI Key KAHQKCLCTUBSBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.0
MW (Da)
2.68
ALogP
8
HBA
0
HBD
89.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN5O4S
MW 477.97
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.63

Data from ChEMBL 36 via Core Engine