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Compound Detail

CHEMBL2442222

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CC[N+](CC)(CC)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2442222
Phase Preclinical
Structure Type MOL
InChI Key KBOSZCTVHKRVEN-UVYVRDAUSA-M
Parent Compound CHEMBL3041291
Active Moiety CHEMBL3041291
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

279.5
MW (Da)
4.15
ALogP
1
HBA
0
HBD
12.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H35BrN2
MW 359.40
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.80

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23993669 10.1016/j.bmc.2013.08.014 NON-PROTEIN TARGET 2
23993669 10.1016/j.bmc.2013.08.014 MT4 1
23993669 10.1016/j.bmc.2013.08.014 U-937 1
23993669 10.1016/j.bmc.2013.08.014 Unchecked 1
23993669 10.1016/j.bmc.2013.08.014 MDCK 1

Data from ChEMBL 36 via Core Engine