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Compound Detail

CHEMBL2316446

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CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2316446
Phase Preclinical
Structure Type BOTH
InChI Key GDQZMEDWVCHGDH-SZBRSHHCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

651.7
MW (Da)
2.79
ALogP
9
HBA
5
HBD
192.9
PSA (Ų)
0.15
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37N5O8S
MW 651.74
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
23245752 10.1016/j.bmc.2012.11.017 Unchecked 1

Data from ChEMBL 36 via Core Engine