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Compound Detail

CHEMBL5184081

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COC(=O)c1ccccc1-c1c2c(nn1Cc1cccc(O)c1)CN(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184081
Phase Preclinical
Structure Type MOL
InChI Key MQEKSVFXXAVZEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.04
ALogP
6
HBA
1
HBD
67.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O3
MW 363.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
35477061 10.1016/j.bmc.2022.116765 Unchecked 1

Data from ChEMBL 36 via Core Engine