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Compound Detail

CHEMBL221372

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CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7nccnc7C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1O3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221372
Phase Preclinical
Structure Type MOL
InChI Key SBBISYCVNAFROK-SQFOWWRJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.7
MW (Da)
7.13
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H46N2O
MW 462.72
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 2.73

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