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Compound Detail

CHEMBL320172

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O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cnnn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL320172
Phase Preclinical
Structure Type MOL
InChI Key SCQMYOOYDWQZPC-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

536.3
MW (Da)
2.44
ALogP
10
HBA
2
HBD
132.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17Cl2F2N9O2
MW 536.33
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -2.27

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
29407959 10.1016/j.ejmech.2018.01.067 Prothrombin 2
15163182 10.1021/jm030303e Prothrombin 1
15163182 10.1021/jm030303e NON-PROTEIN TARGET 1
29407959 10.1016/j.ejmech.2018.01.067 Plasma 1

Data from ChEMBL 36 via Core Engine