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Compound Detail

CHEMBL2171891

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O=C(NC1CCCCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171891
Phase Preclinical
Structure Type MOL
InChI Key XDXGWPAANPQOIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.61
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20F2N4O
MW 334.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
32435392 10.1021/acsmedchemlett.9b00639 Zinc finger protein GLI1 2
22646221 10.1021/jm300063b Unchecked 1
22646221 10.1021/jm300063b Lysosomal alpha-glucosidase 1
22646221 10.1021/jm300063b Lysosomal acid glucosylceramidase 1
32435392 10.1021/acsmedchemlett.9b00639 A-375 1
32435392 10.1021/acsmedchemlett.9b00639 Daoy 1

Data from ChEMBL 36 via Core Engine