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Compound Detail

CHEMBL459968

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N=C(N)N/N=C/C=C(\Cl)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459968
Phase Preclinical
Structure Type MOL
InChI Key CEYAJPAEDXAJRR-ZOVJZTDSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

272.7
MW (Da)
2.89
ALogP
2
HBA
3
HBD
74.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13ClN4
MW 272.74
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
18976929 10.1016/j.bmc.2008.10.007 Envelope glycoprotein gp160 2
18976929 10.1016/j.bmc.2008.10.007 Gag polyprotein 1
18976929 10.1016/j.bmc.2008.10.007 Envelope glycoprotein gp70 1

Data from ChEMBL 36 via Core Engine