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Compound Detail

CHEMBL167814

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CCC(=CCN1Cc2c(C)ncc3nc(O)n(c23)CC1C)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL167814
Phase Preclinical
Structure Type MOL
InChI Key PSMFJKOTMICIEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.40
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N4O
MW 314.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
7877144 10.1021/jm00005a006 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine