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Compound Detail

CHEMBL318674

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O=c1c2c(ncn2CCCN2CCOCC2)c2cccnc2n1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL318674
Phase Preclinical
Structure Type MOL
InChI Key GMTYKRDEULZMOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
2.46
ALogP
7
HBA
0
HBD
65.2
PSA (Ų)
0.52
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 C22H23N5O2
MW 389.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
1495017 10.1021/jm00093a020 Rattus norvegicus 3
1479586 10.1021/jm00104a013 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine