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Compound Detail

CHEMBL2311870

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COc1ccc(OC)c(/C=N/NC(=O)c2n[nH]c3c2CCC3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2311870
Phase Preclinical
Structure Type MOL
InChI Key XVTSRGFWSCGPBB-RQZCQDPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
1.68
ALogP
5
HBA
2
HBD
88.6
PSA (Ų)
0.65
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 C16H18N4O3
MW 314.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.83

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 Human immunodeficiency virus 1 1
23306052 10.1016/j.bmc.2012.12.012 HCT-116 1

Data from ChEMBL 36 via Core Engine