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Compound Detail

CHEMBL59514

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CCc1c(C)nc(O)c(NC(=O)CCCCCCCCCNC(=O)CCOCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N=[N+]=[N-])c1Cc1cc(C)cc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59514
Phase Preclinical
Structure Type MOL
InChI Key CMEDUPCRNSMFKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

760.9
MW (Da)
6.27
ALogP
10
HBA
4
HBD
213.4
PSA (Ų)
0.04
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H56N8O7
MW 760.94
Aromatic Rings 3
Heavy Atoms 55
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
10821705 10.1021/jm991125l Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine