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Compound Detail

CHEMBL4168750

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COc1ccc(N(C)c2ccnc3ccccc23)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168750
Phase Preclinical
Structure Type MOL
InChI Key FAGOUAIYVUFKHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
3.59
ALogP
4
HBA
1
HBD
51.4
PSA (Ų)
0.74
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 C17H17N3O
MW 279.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
28763646 10.1016/j.ejmech.2017.07.040 MDA-MB-231 1
28763646 10.1016/j.ejmech.2017.07.040 No relevant target 1

Data from ChEMBL 36 via Core Engine