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Compound Detail

CHEMBL90890

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CCCCCCCCCCCCCCCCCC(=O)c1c(C(=O)O)n(CCCCCCC)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL90890
Phase Preclinical
Structure Type MOL
InChI Key RQMSZACEKSCVBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

525.8
MW (Da)
10.75
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H55NO3
MW 525.82
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
9276015 10.1021/jm960863w Bos taurus 1
9276015 10.1021/jm960863w Platelet-activating factor acetylhydrolase 1
9276015 10.1021/jm960863w Cytosolic phospholipase A2 1

Data from ChEMBL 36 via Core Engine