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Compound Detail

CHEMBL5181186

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CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)CCN1CCCCC1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5181186
Phase Preclinical
Structure Type MOL
InChI Key BMTQTMGZNRLSQL-RLFYNMQTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
3.62
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H31NO2
MW 293.45
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.71

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1700.0 nM 5.77 Antiviral activity against pseudotyped Ebola virus assessed as inhibition of vir... 35872393

Literature References

PubMed DOI Target Context # Activities
35872393 10.1016/j.ejmech.2022.114608 Unchecked 1

Data from ChEMBL 36 via Core Engine