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Compound Detail

CHEMBL289072

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CCN1c2ncccc2C(=O)N(C)c2cc(Cl)cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289072
Phase Preclinical
Structure Type MOL
InChI Key MDOUOYXTNAKLPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.7
MW (Da)
2.88
ALogP
4
HBA
0
HBD
49.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13ClN4O
MW 288.74
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
1712395 10.1021/jm00111a045 Human immunodeficiency virus type 1 reverse transcriptase 2
11170624 10.1021/jm000255n Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine