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Compound Detail

CHEMBL3357345

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Cl.c1ccc(CNC2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357345
Phase Preclinical
Structure Type MOL
InChI Key RACKHQPWGCCURG-UHFFFAOYSA-N
Parent Compound CHEMBL3546090
Active Moiety CHEMBL3546090
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

175.2
MW (Da)
0.74
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14ClN3
MW 211.70
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
25466178 10.1016/j.bmcl.2014.11.004 Nucleic Acid 1

Data from ChEMBL 36 via Core Engine