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Compound Detail

CHEMBL4648497

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O=C(NCc1ccc2c(c1)OCO2)c1cnn2c(C(F)F)cc(C3CC3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4648497
Phase Preclinical
Structure Type MOL
InChI Key WWSARIYQCIFHFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
3.20
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16F2N4O3
MW 386.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.78

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