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Compound Detail

CHEMBL2158963

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N=C1Sc2cc(Br)ccc2C2=NCC3(CCN(C(N)=O)CC3)CN12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158963
Phase Preclinical
Structure Type MOL
InChI Key YISQYLZMTDSGJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.3
MW (Da)
2.71
ALogP
4
HBA
2
HBD
85.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18BrN5OS
MW 408.32
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
23022280 10.1016/j.bmc.2012.08.030 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine