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Compound Detail

CHEMBL222239

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C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6nccnc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222239
Phase Preclinical
Structure Type MOL
InChI Key ZOKLUSVJFRWYND-BFDLOSFQSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.8
MW (Da)
7.32
ALogP
4
HBA
0
HBD
52.1
PSA (Ų)
0.31
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 2.62

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