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Compound Detail

CHEMBL425070

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C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCN(Cc4ccccc4)CC3)[C@@H]2CC/C(C)=C/CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425070
Phase Preclinical
Structure Type MOL
InChI Key OQBCSYQAFVLXSV-NWASWBKISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

408.6
MW (Da)
4.43
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N2O2
MW 408.59
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.97

Literature References

PubMed DOI Target Context # Activities
16766184 10.1016/j.bmcl.2006.05.083 NIH3T3 4
16766184 10.1016/j.bmcl.2006.05.083 HBL-100 2
16766184 10.1016/j.bmcl.2006.05.083 MIA PaCa-2 2
16766184 10.1016/j.bmcl.2006.05.083 K562 2
16766184 10.1016/j.bmcl.2006.05.083 PA-1 2
16766184 10.1016/j.bmcl.2006.05.083 DU-145 2
16766184 10.1016/j.bmcl.2006.05.083 A549 1
16766184 10.1016/j.bmcl.2006.05.083 KB 1
16766184 10.1016/j.bmcl.2006.05.083 SW-620 1

Data from ChEMBL 36 via Core Engine