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Compound Detail

CHEMBL4803099

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Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F

Basic Information

ChEMBL ID CHEMBL4803099
Phase Preclinical
Structure Type MOL
InChI Key BLUDMDWTHRXJRA-UROYJEPJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
1.86
ALogP
7
HBA
4
HBD
142.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19FN4O4S2
MW 438.51
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine