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Compound Detail

CHEMBL3747131

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CC(C)=CCC[C@](C)(N)[C@H]1CC=C(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747131
Phase Preclinical
Structure Type MOL
InChI Key QZQOMRYLDNFLCE-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

221.4
MW (Da)
4.20
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H27N
MW 221.39
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 2.09

Literature References

PubMed DOI Target Context # Activities
26711144 10.1016/j.bmcl.2015.12.022 Tyrosine-protein phosphatase non-receptor type 1 5
27720294 10.1016/j.bmcl.2016.09.053 Molecular identity unknown 4
26711144 10.1016/j.bmcl.2015.12.022 ADMET 2
27720294 10.1016/j.bmcl.2016.09.053 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine