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Compound Detail

CHEMBL242245

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CN(C)C(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(C(=O)N(C)C)cc34)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242245
Phase Preclinical
Structure Type MOL
InChI Key KOQPMVDLIPXBTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
3.64
ALogP
2
HBA
2
HBD
72.2
PSA (Ų)
0.56
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 C23H24N4O2
MW 388.47
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
17602463 10.1021/jm070040e MCF7 1

Data from ChEMBL 36 via Core Engine