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Compound Detail

CHEMBL3219766

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CN1N=C(c2ccccn2)CC1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3219766
Phase Preclinical
Structure Type MOL
InChI Key UTOVJCIWUJVVMT-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
2.86
ALogP
3
HBA
0
HBD
28.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N3
MW 237.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.83

Activity Summary

IC50 2 meas.

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