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Compound Detail

CHEMBL2012389

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C[C@H]1C/C=C/[C@@H](O)[C@@H](O)CCC(=NO)Cc2cc(O)cc(O)c2C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012389
Phase Preclinical
Structure Type MOL
InChI Key AQIHADOWQLMUNV-AYDDGQIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
1.48
ALogP
8
HBA
5
HBD
139.8
PSA (Ų)
0.20
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO7
MW 365.38
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 2.16

Literature References

PubMed DOI Target Context # Activities
24900361 10.1021/ml200067t Cyclin-dependent kinase 2/cyclin A 2
24900361 10.1021/ml200067t MAP kinase-interacting serine/threonine-protein kinase 2 1

Data from ChEMBL 36 via Core Engine