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Compound Detail

CHEMBL101402

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CC(=O)N[C@@H](/C=C/C(C)=C/c1ccccc1Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL101402
Phase Preclinical
Structure Type MOL
InChI Key BFMPUFFBVZOFNK-ARFYTHITSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
3.97
ALogP
3
HBA
3
HBD
95.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N2O4
MW 448.56
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.30

Literature References

PubMed DOI Target Context # Activities
14611855 10.1016/s0960-894x(03)00588-2 Protein phosphatase 1B 1
14611855 10.1016/s0960-894x(03)00588-2 Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine