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Compound Detail

CHEMBL1595295

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S=C(NCCc1ccccn1)Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1595295
Phase Preclinical
Structure Type MOL
InChI Key XDDXKUIHJPANCH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

291.8
MW (Da)
3.26
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14ClN3S
MW 291.81
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -2.46

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