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Compound Detail

CHEMBL2311868

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O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cnccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2311868
Phase Preclinical
Structure Type MOL
InChI Key XIEXXBJDAMXSQU-UBKPWBPPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

295.1
MW (Da)
2.55
ALogP
4
HBA
1
HBD
67.2
PSA (Ų)
0.70
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 C12H8Cl2N4O
MW 295.13
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -2.42

Literature References

PubMed DOI Target Context # Activities
23306052 10.1016/j.bmc.2012.12.012 Human immunodeficiency virus type 1 integrase 2
23306052 10.1016/j.bmc.2012.12.012 Unchecked 1
23306052 10.1016/j.bmc.2012.12.012 HCT-116 1

Data from ChEMBL 36 via Core Engine