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Compound Detail

CHEMBL5555087

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CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4ccc(Cl)nc4)=CC[C@@H]32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5555087
Phase Preclinical
Structure Type MOL
InChI Key CMVLGJXWNZISTL-TZKZFTRPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.0
MW (Da)
6.62
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32ClNO2
MW 426.00
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.57

Literature References

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

Data from ChEMBL 36 via Core Engine