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Compound Detail

CHEMBL3905099

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COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(C(=O)O)cc2)cc(OC)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3905099
Phase Preclinical
Structure Type MOL
InChI Key FUGVFRBSJDQBGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
4.99
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29NO5
MW 447.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
27774128 10.1021/acsmedchemlett.6b00225 Lysophosphatidic acid receptor 1 1

Data from ChEMBL 36 via Core Engine