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Compound Detail

CHEMBL1194351

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N#C[C@@H]1CS[C@H]2C[C@](N)(c3ccc(F)cc3)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194351
Phase Preclinical
Structure Type MOL
InChI Key DNYOPQPULCIQLP-MDZLAQPJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
1.18
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.84
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 C13H12FN3OS
MW 277.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine