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Compound Detail

CHEMBL5397841

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CN(C)CCNC(=O)c1cc2cc(Nc3nccc(-c4cccc(OCc5ccccc5)c4)n3)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5397841
Phase Preclinical
Structure Type MOL
InChI Key QKKDZXBEGUDQJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
5.24
ALogP
6
HBA
3
HBD
95.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N6O2
MW 506.61
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
37983615 10.1021/acs.jmedchem.3c01336 T47D 1
37983615 10.1021/acs.jmedchem.3c01336 MDA-MB-231 1
37983615 10.1021/acs.jmedchem.3c01336 MCF-10A 1

Data from ChEMBL 36 via Core Engine