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Compound Detail

CHEMBL5537042

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C[C@]12CC[C@H](OC(=O)CN)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5537042
Phase Preclinical
Structure Type MOL
InChI Key SQNBNHLSBALCII-TZKZFTRPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.6
MW (Da)
4.91
ALogP
4
HBA
1
HBD
65.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34N2O2
MW 406.57
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.56

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
38467086 10.1016/j.ejmech.2024.116296 B16 1

Data from ChEMBL 36 via Core Engine