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Compound Detail

CHEMBL4085993

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CC1=C2[C@H](/C=C(\C)C(=O)NCCC(C)C)CC[C@@H](C)[C@H]2CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4085993
Phase Preclinical
Structure Type MOL
InChI Key DIZAKGFPLKJSPV-JZGALHJVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

303.5
MW (Da)
4.87
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H33NO
MW 303.49
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 1.41

Literature References

PubMed DOI Target Context # Activities
28558967 10.1016/j.bmcl.2017.05.021 Keratinocyte 4
28558967 10.1016/j.bmcl.2017.05.021 PBMC 1

Data from ChEMBL 36 via Core Engine