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Compound Detail

CHEMBL254419

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COC(=O)N[C@H](C(=O)NCCCC[C@@H](COP(=O)(O)O)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254419
Phase Preclinical
Structure Type MOL
InChI Key KHASNRBNVBIREH-IZEXYCQBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

704.8
MW (Da)
4.24
ALogP
8
HBA
5
HBD
197.6
PSA (Ų)
0.07
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H45N4O9PS
MW 704.78
Aromatic Rings 3
Heavy Atoms 48
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
17900913 10.1016/j.bmc.2007.09.010 Protease 1

Data from ChEMBL 36 via Core Engine