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Compound Detail

CHEMBL111081

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COc1ccc(Cn2nnnc2C(=O)/C=C(\O)c2c[nH]c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111081
Phase Preclinical
Structure Type MOL
InChI Key XTUCKITUNBMUPV-ZDLGFXPLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
2.99
ALogP
7
HBA
2
HBD
105.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N5O3
MW 375.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
12109903 10.1021/jm020037p Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine