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Compound Detail

CHEMBL103136

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

Basic Information

ChEMBL ID CHEMBL103136
Phase Preclinical
Structure Type MOL
InChI Key RMVVWOTUPFGMMQ-CNNODRBYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

585.7
MW (Da)
-1.12
ALogP
8
HBA
7
HBD
214.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H47N5O9
MW 585.70
Aromatic Rings 0
Heavy Atoms 41
NP-Likeness 0.18

Literature References

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

Data from ChEMBL 36 via Core Engine