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Compound Detail

CHEMBL221952

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N=C(N)NC(=N)Nc1cc(Cl)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221952
Phase Preclinical
Structure Type MOL
InChI Key ISWYMEZLJNBVDA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.1
MW (Da)
1.82
ALogP
2
HBA
5
HBD
97.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9Cl2N5
MW 246.10
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.20

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16982193 10.1016/j.bmcl.2006.08.061 Integrin alpha-V/beta-3 1

Data from ChEMBL 36 via Core Engine