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Compound Detail

CHEMBL82662

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O=C1Nc2ccc(Cl)cc2C(C#Cc2cc([N+](=O)[O-])ccn2)(C2CC2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82662
Phase Preclinical
Structure Type MOL
InChI Key IUMRWWXZUDQGOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.8
MW (Da)
3.44
ALogP
4
HBA
2
HBD
97.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13ClN4O3
MW 368.78
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
7520079 10.1021/jm00041a023 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine