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Compound Detail

CHEMBL100223

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CC(C)C[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100223
Phase Preclinical
Structure Type MOL
InChI Key HMFOAWYQFBPUEI-UWVGGRQHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
-0.66
ALogP
5
HBA
4
HBD
140.2
PSA (Ų)
0.39
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 C15H22F3N5O4
MW 393.37
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness -1.01

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(94)00452-L Human adenovirus 2 2

Data from ChEMBL 36 via Core Engine