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Compound Detail

CHEMBL3142516

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OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142516
Phase Preclinical
Structure Type MOL
InChI Key QHUNSJYFZSECMJ-OUCADQQQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

352.8
MW (Da)
2.08
ALogP
7
HBA
3
HBD
92.4
PSA (Ų)
0.73
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 C16H21ClN4O3
MW 352.82
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
9873575 10.1016/s0960-894x(98)00452-1 ADMET 4
7562937 10.1021/jm00020a017 Human immunodeficiency virus 1 1
7562937 10.1021/jm00020a017 C8166 1
7562937 10.1021/jm00020a017 Adenosine deaminase 1

Data from ChEMBL 36 via Core Engine