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Compound Detail

CHEMBL160030

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N=C(N)SCCCn1cc(C2=CC(=O)NC2=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL160030
Phase Preclinical
Structure Type MOL
InChI Key FDZAERNWUZKQMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
1.70
ALogP
5
HBA
3
HBD
101.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N4O2S
MW 328.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(94)00460-W Protein kinase C (PKC) 1
- 10.1016/0960-894X(94)00460-W MCF7 1

Data from ChEMBL 36 via Core Engine