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Compound Detail

CHEMBL2179365

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CCCCCCCCCCCCCCCCCC[C@@H]1CC[P@@](=O)(OC)OC(C)=C1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2179365
Phase Preclinical
Structure Type MOL
InChI Key VRXYJHDZLJKPIN-INJOXJOKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

486.7
MW (Da)
8.96
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.10
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H51O5P
MW 486.67
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
23095026 10.1021/jm301216x Gastric triacylglycerol lipase 1
23095026 10.1021/jm301216x Pancreatic lipase-related protein 2 1
23095026 10.1021/jm301216x Pancreatic triacylglycerol lipase 1
23095026 10.1021/jm301216x Unchecked 1
23095026 10.1021/jm301216x Monoacylglycerol lipase 1
23095026 10.1021/jm301216x Cutinase 1 1
25678014 10.1016/j.bmc.2015.01.028 Hormone-sensitive lipase 1

Data from ChEMBL 36 via Core Engine