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Compound Detail

CHEMBL279601

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O=C(CCc1ccc(O)cc1)NCCCNC(=O)CCc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL279601
Phase Preclinical
Structure Type MOL
InChI Key QVRHXGPCSPYJFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.29
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O4
MW 370.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
9111292 10.1021/jm960449w Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine