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Compound Detail

CHEMBL1214320

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CC(C)(C)OC(=O)N(CCCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCNC(=O)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL1214320
Phase Preclinical
Structure Type MOL
InChI Key FQICKRLWFXXDPR-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

552.5
MW (Da)
3.21
ALogP
6
HBA
2
HBD
117.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H34F6N4O6
MW 552.51
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness -0.69

Activity Summary

Ki 3 meas.

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