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Compound Detail

CHEMBL30698

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COC(=O)[C@@H](CNC(=O)/C=C/c1ccc(OC)c(OC)c1)NC(=O)/C=C/c1ccc(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL30698
Phase Preclinical
Structure Type MOL
InChI Key NFZFVFAKLQJGNO-XODZKWCOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.5
MW (Da)
2.22
ALogP
8
HBA
2
HBD
121.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N2O8
MW 498.53
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
10212126 10.1021/jm980531m Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine