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Compound Detail

CHEMBL243258

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CN(C)CCN1C(=O)c2cccc3cc(NC(=S)NCc4ccc5c(c4)OCO5)cc(c23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243258
Phase Preclinical
Structure Type MOL
InChI Key QRTVIFZCQAXQDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
3.21
ALogP
6
HBA
2
HBD
83.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N4O4S
MW 476.56
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
17658777 10.1021/jm070315q NON-PROTEIN TARGET 2
17658777 10.1021/jm070315q HCT-15 1
17658777 10.1021/jm070315q LoVo 1
17658777 10.1021/jm070315q A549 1
17658777 10.1021/jm070315q MCF7 1
17658777 10.1021/jm070315q Mus musculus 1
17658777 10.1021/jm070315q L1210 1

Data from ChEMBL 36 via Core Engine