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Compound Detail

CHEMBL511704

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CC(C)(CC(=O)O)CC(=O)NCCN1CCNC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL511704
Phase Preclinical
Structure Type MOL
InChI Key DJDFICKJLLVXQR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
0.02
ALogP
3
HBA
3
HBD
98.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H21N3O4
MW 271.32
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
19185501 10.1016/j.bmc.2009.01.004 Unchecked 1
19185501 10.1016/j.bmc.2009.01.004 Beta-ketoacyl-[acyl-carrier-protein] synthase III 1

Data from ChEMBL 36 via Core Engine