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Compound Detail

CHEMBL3219770

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

Basic Information

ChEMBL ID CHEMBL3219770
Phase Preclinical
Structure Type MOL
InChI Key JPCJTDAXGXCKNW-AWEZNQCLSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
2.48
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.86
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 C15H14N4S
MW 282.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.26

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