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Compound Detail

CHEMBL2109795

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CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCC[C@@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2109795
Phase Preclinical
Structure Type MOL
InChI Key OTUGDNNWSOGJCW-MISYRCLQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
3.67
ALogP
4
HBA
1
HBD
43.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N2O2S
MW 386.56
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine