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Compound Detail

CHEMBL4126045

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CCOC(=O)c1nc(NC(=O)CCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)sc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4126045
Phase Preclinical
Structure Type MOL
InChI Key DTWQKTWVMNUIQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
3.81
ALogP
8
HBA
1
HBD
110.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N4O5S
MW 496.59
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
28648953 10.1016/j.ejmech.2017.06.025 PC-3 1
28648953 10.1016/j.ejmech.2017.06.025 DU-145 1
28648953 10.1016/j.ejmech.2017.06.025 A549 1
28648953 10.1016/j.ejmech.2017.06.025 HCT-15 1
28648953 10.1016/j.ejmech.2017.06.025 Unchecked 1

Data from ChEMBL 36 via Core Engine