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Compound Detail

CHEMBL238272

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N#Cc1cnc2cnc(NCc3cccnc3)cc2c1NC1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238272
Phase Preclinical
Structure Type MOL
InChI Key HBBOVFOHYKTYEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
2.67
ALogP
7
HBA
3
HBD
98.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N7
MW 359.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
17664070 10.1016/j.bmc.2007.06.054 Unchecked 1

Data from ChEMBL 36 via Core Engine