General Information of the Compound
| Compound ID |
CP0267175
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| Compound Name |
4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl ester
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| Synonyms |
39492-01-8
4V7M9137X9
AC1L1FYH
BSPBio_001135
Benzoic acid, 4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxy)-, ethyl ester
C16H23N3O4
CHEMBL87563
Ethyl p-hydroxybenzoate 6-guanidinohexanoate
GTPL7863
Gabexate
Gabexate (INN)
Gabexate [INN]
Gabexato
Gabexato [INN-Spanish]
Gabexatum
Gabexatum [INN-Latin]
Prestwick0_001008
Prestwick1_001008
Prestwick2_001008
Prestwick3_001008
SCHEMBL446024
SPBio_003016
UNII-4V7M9137X9
ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate
gabexate
p-carbethoxyphenyl e-guanidinocaproate
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| Structure |
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| Formula |
C16H23N3O4
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| Molecular Weight |
321.377
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| Canonical SMILES |
CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1
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| InChI |
InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)
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| InChIKey |
YKGYIDJEEQRWQH-UHFFFAOYSA-N
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| CAS |
39492-01-8
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
Protein ID: PT05330, Multidrug and toxin extrusion protein 2
Protein ID: PT03005, Serine protease hepsin
Protein ID: PT04591, Solute carrier family 22 member 2
Clinical Information about the Compound