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Compound Detail

CHEMBL555961

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CC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555961
Phase Preclinical
Structure Type MOL
InChI Key YSRZULBPZXJGNV-ZMNOQRQPSA-N
Parent Compound CHEMBL1196110
Active Moiety CHEMBL1196110
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.4
MW (Da)
1.49
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25ClN2O2
MW 300.83
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.53

Literature References

PubMed DOI Target Context # Activities
15482928 10.1016/j.bmcl.2004.08.057 Unchecked 1

Data from ChEMBL 36 via Core Engine