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Compound Detail

CHEMBL5639820

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Cc1ccccc1C(=O)Nc1cc(-c2ccnc(N3CCC(O)CC3)c2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5639820
Phase Preclinical
Structure Type MOL
InChI Key BIPDMDWJMJOETF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
3.67
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O2
MW 388.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
37837671 10.1016/j.ejmech.2023.115858 MDA-MB-231 1
37837671 10.1016/j.ejmech.2023.115858 L02 1
37837671 10.1016/j.ejmech.2023.115858 A549 1
37837671 10.1016/j.ejmech.2023.115858 HeLa 1

Data from ChEMBL 36 via Core Engine