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Compound Detail

CHEMBL4295124

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CCCCCCCCc1ccc(C(=O)[C@@H]2CCCN2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4295124
Phase Preclinical
Structure Type MOL
InChI Key KMYXCCFNQCFLDG-FERBBOLQSA-N
Parent Compound CHEMBL4300452
Active Moiety CHEMBL4300452
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
4.52
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30ClNO
MW 323.91
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
30292898 10.1016/j.ejmech.2018.09.043 FL5.12 7

Data from ChEMBL 36 via Core Engine