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Compound Detail

CHEMBL502896

CETRAXATE HYDROCHLORIDE
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Cl.NC[C@H]1CC[C@H](C(=O)Oc2ccc(CCC(=O)O)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL502896
Name CETRAXATE HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key USROQQUKEBHOFF-SKKCDYJJSA-N
Parent Compound CHEMBL1187445
Active Moiety CHEMBL1187445

Known Names

Cetraxate hcl Cetraxate hydrochloride DV-1006 Neuer
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
4
Known Names

Molecular Properties

305.4
MW (Da)
2.37
ALogP
4
HBA
2
HBD
89.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1982

Extended Properties

Molecular Formula C17H24ClNO4
MW 341.83
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 346
16499314 10.1021/np058097w Rattus norvegicus 3
3959024 10.1021/jm00154a004 Rattus norvegicus 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513141 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine