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Compound Detail

CHEMBL1195192

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CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)C3CN(CC(C)(C)C)C3)[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195192
Phase Preclinical
Structure Type MOL
InChI Key PDKMPCTWJJRYEQ-OWCLPIDISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.6
MW (Da)
1.01
ALogP
5
HBA
0
HBD
78.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H33N3O4S
MW 399.56
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
12061887 10.1021/jm0111245 ADMET 3

Data from ChEMBL 36 via Core Engine