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Compound Detail

CHEMBL2381775

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Cc1ccc(NC(=S)N/N=C2\C(=O)Nc3ccc(Cl)cc32)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2381775
Phase Preclinical
Structure Type MOL
InChI Key BULILNGWUNHZSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

358.9
MW (Da)
3.60
ALogP
3
HBA
3
HBD
65.5
PSA (Ų)
0.57
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 C17H15ClN4OS
MW 358.85
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.08

Literature References

PubMed DOI Target Context # Activities
23602441 10.1016/j.bmcl.2013.03.099 HCT-116 1
23602441 10.1016/j.bmcl.2013.03.099 MCF7 1
23602441 10.1016/j.bmcl.2013.03.099 A549 1

Data from ChEMBL 36 via Core Engine