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Compound Detail

CHEMBL209126

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CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL209126
Phase Preclinical
Structure Type MOL
InChI Key SXSUKFQJCFUOTC-UHFFFAOYSA-N
0
Targets
14
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

402.6
MW (Da)
2.94
ALogP
6
HBA
2
HBD
111.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H42N4O4
MW 402.58
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness -0.31

Activity Summary

Ki 13 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16563762 10.1016/j.bmcl.2006.03.015 Glutamate NMDA receptor 2
20590092 10.1021/jm1003667 Carbonic anhydrase 1 1
20590092 10.1021/jm1003667 Carbonic anhydrase 2 1
20590092 10.1021/jm1003667 Carbonic anhydrase 3 1
20590092 10.1021/jm1003667 Carbonic anhydrase 4 1
20590092 10.1021/jm1003667 Carbonic anhydrase 5A, mitochondrial 1
20590092 10.1021/jm1003667 Carbonic anhydrase 5B, mitochondrial 1
20590092 10.1021/jm1003667 Carbonic anhydrase 6 1
20590092 10.1021/jm1003667 Carbonic anhydrase 7 1
20590092 10.1021/jm1003667 Carbonic anhydrase 9 1
20590092 10.1021/jm1003667 Carbonic anhydrase 12 1
20590092 10.1021/jm1003667 Carbonic anhydrase 13 1
20590092 10.1021/jm1003667 Carbonic anhydrase 14 1
20590092 10.1021/jm1003667 Carbonic anhydrase 15 1

Data from ChEMBL 36 via Core Engine