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Compound Detail

CHEMBL441600

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CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441600
Phase Preclinical
Structure Type MOL
InChI Key KHDVRSANQYOYDA-YBEGLDIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.8
MW (Da)
3.49
ALogP
4
HBA
1
HBD
70.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13ClN2O3
MW 340.77
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
15006380 10.1016/j.bmcl.2004.01.027 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine