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Compound Detail

CHEMBL263988

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CC(=O)NCCCC[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL263988
Phase Preclinical
Structure Type MOL
InChI Key BBELBAMZJWPNBL-SJORKVTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.5
MW (Da)
0.09
ALogP
6
HBA
6
HBD
191.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O8
MW 464.48
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
15013002 10.1016/j.bmcl.2003.12.034 Homo sapiens 1

Data from ChEMBL 36 via Core Engine