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Compound Detail

CHEMBL1233922

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Cc1nc(-c2ccnc(N)n2)cn1Cc1c(Cl)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1233922
Phase Preclinical
Structure Type MOL
InChI Key CKSSZTMRRVJNNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.2
MW (Da)
3.59
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H13Cl2N5
MW 334.21
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
30091915 10.1021/acs.jmedchem.8b00669 Unchecked 1

Data from ChEMBL 36 via Core Engine