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Compound Detail

CHEMBL3981813

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COc1cc(C(=O)N(CCc2ccccc2)Cc2ccc(OCC(=O)O)cc2)cc(OC)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3981813
Phase Preclinical
Structure Type MOL
InChI Key FDORZHLISAVKJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
4.36
ALogP
5
HBA
1
HBD
85.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29NO6
MW 463.53
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.86

Literature References

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

Data from ChEMBL 36 via Core Engine