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Compound Detail

CHEMBL4173764

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O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(-c2cccs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173764
Phase Preclinical
Structure Type MOL
InChI Key OWAASSZLHPRPMY-NFWVVERESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

489.7
MW (Da)
5.82
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H39N3OS
MW 489.73
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
29152054 10.1021/acsmedchemlett.7b00376 Human immunodeficiency virus 1 1
29152054 10.1021/acsmedchemlett.7b00376 MT4 1

Data from ChEMBL 36 via Core Engine