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Compound Detail

CHEMBL1492594

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S=C(NCc1ccccn1)Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1492594
Phase Preclinical
Structure Type MOL
InChI Key WRJUFCDCMUDAFY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

277.8
MW (Da)
3.22
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.84
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 C13H12ClN3S
MW 277.78
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -2.65

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0402-6 MOLT-3 1
- 10.1007/s00044-012-0402-6 HepG2 1
- 10.1007/s00044-012-0402-6 A549 1
- 10.1007/s00044-012-0402-6 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine