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Compound Detail

CHEMBL5407768

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CC(C)=CCC/C(C)=C/CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407768
Phase Preclinical
Structure Type MOL
InChI Key AFMZGMJNKXOLEM-JXMROGBWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

153.3
MW (Da)
2.64
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H19N
MW 153.27
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 2.07

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
37235809 10.1021/acs.jmedchem.3c00398 Mycolicibacterium smegmatis 1
37235809 10.1021/acs.jmedchem.3c00398 Mycobacterium tuberculosis 1
37235809 10.1021/acs.jmedchem.3c00398 Cell membrane 1

Data from ChEMBL 36 via Core Engine