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Compound Detail

CHEMBL262003

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CCc1c(C)nc(O)c(NC(=O)CNC(=O)CNC(=O)CCCNC(=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 CHEMBL262003
Phase Preclinical
Structure Type MOL
InChI Key PQSZHJDLSKTDSO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

790.9
MW (Da)
2.16
ALogP
12
HBA
6
HBD
271.6
PSA (Ų)
0.04
QED
3
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H50N10O9
MW 790.88
Aromatic Rings 3
Heavy Atoms 57
NP-Likeness -0.38

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