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Compound Detail

CHEMBL301662

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O=C(CCl)Nc1ccc(CC2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL301662
Phase Preclinical
Structure Type MOL
InChI Key DRNYRDOWKBEUNL-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

251.7
MW (Da)
1.41
ALogP
3
HBA
2
HBD
53.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14ClN3O
MW 251.72
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.02

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
8021927 10.1021/jm00038a017 Rattus norvegicus 4

Data from ChEMBL 36 via Core Engine