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Compound Detail

CHEMBL4647537

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O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N(Cc1ccccc1)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4647537
Phase Preclinical
Structure Type MOL
InChI Key FXDICCAVGGDYOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
5.39
ALogP
4
HBA
0
HBD
50.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22F2N4O
MW 432.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
32435392 10.1021/acsmedchemlett.9b00639 Zinc finger protein GLI1 2
32435392 10.1021/acsmedchemlett.9b00639 A-375 1
32435392 10.1021/acsmedchemlett.9b00639 Daoy 1

Data from ChEMBL 36 via Core Engine