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Compound Detail

CHEMBL4649673

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Cc1cc(C(F)F)n2ncc(C(=O)NC3CC(C)(C)Oc4ccccc43)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4649673
Phase Preclinical
Structure Type MOL
InChI Key ZSAIDQXJPKIBDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
4.01
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20F2N4O2
MW 386.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.40

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