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Compound Detail

CHEMBL4164860

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CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccccc4Cl)ccc3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4164860
Phase Preclinical
Structure Type MOL
InChI Key YUUHYSFCEZLHAM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.9
MW (Da)
4.59
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.69
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 C23H25ClN4O
MW 408.93
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.20

Literature References

PubMed DOI Target Context # Activities
29028527 10.1016/j.ejmech.2017.07.080 MCF7 1
29028527 10.1016/j.ejmech.2017.07.080 SK-BR-3 1

Data from ChEMBL 36 via Core Engine