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Compound Detail

CHEMBL1196981

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N#C[C@@H]1CS[C@H]2C[C@](N)(C3CCCC3)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196981
Phase Preclinical
Structure Type MOL
InChI Key SDXAGVKEKQCUOJ-SCVCMEIPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
1.07
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N3OS
MW 251.35
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.36

Data from ChEMBL 36 via Core Engine