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Compound Detail

CHEMBL83857

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c1cc(NCCCNc2ccncc2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL83857
Phase Preclinical
Structure Type MOL
InChI Key WDNPXYWXIFHBCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
2.39
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N4
MW 228.30
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
8978854 10.1021/jm960545x ADMET 4
8691443 10.1021/jm950827h L1210 1

Data from ChEMBL 36 via Core Engine