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Compound Detail

CHEMBL171587

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Cc1c(-c2ccccc2O)nc(N)c(C#N)c1-c1cccc(NC(=O)C(O)CCC(=O)[O-])c1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL171587
Phase Preclinical
Structure Type MOL
InChI Key YSYFWMZULABJEK-UHFFFAOYSA-M
Parent Compound CHEMBL1205972
Active Moiety CHEMBL1205972
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
3.05
ALogP
7
HBA
5
HBD
169.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N4NaO5
MW 468.45
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
12617920 10.1016/s0960-894x(02)01046-6 Inhibitor of nuclear factor kappa-B kinase subunit beta 1
12617920 10.1016/s0960-894x(02)01046-6 A549 1

Data from ChEMBL 36 via Core Engine