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Compound Detail

CHEMBL5523375

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C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccc(Cl)nc3)=CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5523375
Phase Preclinical
Structure Type MOL
InChI Key TYAWTJDFLQRKDA-GBOSRWDWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.0
MW (Da)
6.05
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30ClNO
MW 383.96
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 1.67

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