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Compound Detail

CHEMBL4091101

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O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccnc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091101
Phase Preclinical
Structure Type MOL
InChI Key WMMYAMVQLZXFGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

383.8
MW (Da)
5.00
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClF3N3O
MW 383.80
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.10

Literature References

PubMed DOI Target Context # Activities
28407594 10.1016/j.ejmech.2017.03.078 HL-60 1
28407594 10.1016/j.ejmech.2017.03.078 Jurkat 1
28407594 10.1016/j.ejmech.2017.03.078 NALM-6 1

Data from ChEMBL 36 via Core Engine