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Compound Detail

CHEMBL4852685

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CC(C)C1c2[nH]c3ccccc3c2CCN1C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4852685
Phase Preclinical
Structure Type MOL
InChI Key HZMGCOIWIODYPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
4.56
ALogP
1
HBA
1
HBD
36.1
PSA (Ų)
0.74
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 C21H22N2O
MW 318.42
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
33744440 10.1016/j.bmcl.2021.127954 Unchecked 3

Data from ChEMBL 36 via Core Engine