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Compound Detail

CHEMBL3920891

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O=C(O)CC1CCC2(CC1)CCN(c1ccccc1Cl)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3920891
Phase Preclinical
Structure Type MOL
InChI Key SDSAFMLNHFPXQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.9
MW (Da)
4.59
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24ClNO2
MW 321.85
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
28105274 10.1021/acsmedchemlett.6b00360 Free fatty acid receptor 4 4
28105274 10.1021/acsmedchemlett.6b00360 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine