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Compound Detail

CHEMBL5090028

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CC(C)(C)c1cccc(C23CCN(C(=O)[C@H]4C[C@]5(COC(=O)N5)C4)CC2C3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5090028
Phase Preclinical
Structure Type MOL
InChI Key KRYBVRGWFABPLX-QGHRMTQGSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
3.36
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N2O3
MW 382.50
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.15

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
35059118 10.1021/acsmedchemlett.1c00679 Monoglyceride lipase 1
37197472 10.1021/acsmedchemlett.3c00121 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine