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Compound Detail

CHEMBL4225202

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CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCCN)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4225202
Phase Preclinical
Structure Type MOL
InChI Key TUILUNYVOJGATE-YUQDSPFASA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.6
MW (Da)
5.33
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H44N2O3
MW 396.62
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.70

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.1333 hr Mus musculus

Literature References

PubMed DOI Target Context # Activities
29533650 10.1021/acs.jmedchem.8b00029 Unchecked 1
29533650 10.1021/acs.jmedchem.8b00029 ADMET 1

Data from ChEMBL 36 via Core Engine