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Compound Detail

CHEMBL3219772

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O=C(c1ccccc1)N1N=C(c2ccccn2)C[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3219772
Phase Preclinical
Structure Type MOL
InChI Key QRZCYSLLKFOTHW-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
4.07
ALogP
3
HBA
0
HBD
45.6
PSA (Ų)
0.73
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 C21H17N3O
MW 327.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00077J MDA-MB-231 1
- 10.1039/C3MD00077J HT-29 1

Data from ChEMBL 36 via Core Engine