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Compound Detail

CHEMBL100856

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CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100856
Phase Preclinical
Structure Type MOL
InChI Key YCSTUNHXWNVBDI-DEJKCJRPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

639.8
MW (Da)
1.42
ALogP
7
HBA
6
HBD
211.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H53N5O9
MW 639.79
Aromatic Rings 0
Heavy Atoms 45
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
8411018 10.1021/jm00072a021 Unchecked 1

Data from ChEMBL 36 via Core Engine