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Compound Detail

CHEMBL1196308

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CO[C@H]1C[C@H](N(C)C(=O)Cc2cccc3sccc23)[C@@H](N2CCCC2)C[C@H]1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196308
Phase Preclinical
Structure Type MOL
InChI Key SWMDYKINDINJFM-XSDIEEQYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
3.56
ALogP
5
HBA
0
HBD
42.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N2O3S
MW 416.59
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine