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Compound Detail

CHEMBL3806311

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O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccccc1OC(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3806311
Phase Preclinical
Structure Type MOL
InChI Key FRNNITVSNZGHOC-KWLZBDKBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
4.99
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36F3N3O2
MW 491.60
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
26985308 10.1021/acsmedchemlett.5b00339 Human immunodeficiency virus 1 1
26985308 10.1021/acsmedchemlett.5b00339 MT4 1

Data from ChEMBL 36 via Core Engine