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Compound Detail

CHEMBL194795

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Nc1[nH]nc2nnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL194795
Phase Preclinical
Structure Type MOL
InChI Key ZOPKPTUBCIMWOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

423.3
MW (Da)
5.31
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H11F6N5
MW 423.32
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
16250643 10.1021/jm058013g Unchecked 1
16250643 10.1021/jm058013g HT-29 1
16250643 10.1021/jm058013g HeLa 1
16250643 10.1021/jm058013g PC-3 1

Data from ChEMBL 36 via Core Engine