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Compound Detail

CHEMBL444345

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N#Cc1c(-c2cccc(NC(=O)C(O)CCC(=O)[O-])c2)cc(-c2ccccc2)nc1N.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL444345
Phase Preclinical
Structure Type MOL
InChI Key DYSHYAUJEJBSAR-UHFFFAOYSA-M
Parent Compound CHEMBL1207835
Active Moiety CHEMBL1207835
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
3.03
ALogP
6
HBA
4
HBD
149.3
PSA (Ų)
0.46
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 C23H19N4NaO4
MW 438.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.62

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