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Compound Detail

CHEMBL221422

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CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@H]4C5=C(CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C)c1nccnc1[C@H]5C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221422
Phase Preclinical
Structure Type MOL
InChI Key MEEHSLRPGHXUJQ-YHLUTQOASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.8
MW (Da)
7.98
ALogP
4
HBA
0
HBD
52.1
PSA (Ų)
0.38
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H48N2O2
MW 504.76
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 2.38

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17371067 10.1021/np060436d CCRF-CEM 1

Data from ChEMBL 36 via Core Engine