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Compound Detail

CHEMBL1214321

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O=C(NCCNCCNCCNC(=O)C(F)(F)F)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1214321
Phase Preclinical
Structure Type MOL
InChI Key KZYWBHHMDVXULL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

338.2
MW (Da)
-0.48
ALogP
4
HBA
4
HBD
82.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16F6N4O2
MW 338.25
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
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