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Compound Detail

CHEMBL5396072

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C=CC(=O)Nc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nc(-c2cc3n(c2)CCN(c2c(CC)cccc2CC)C3=O)c2cn[nH]c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5396072
Phase Preclinical
Structure Type MOL
InChI Key DJYJAQPJVWJUDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

672.8
MW (Da)
5.14
ALogP
9
HBA
3
HBD
144.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H40N10O3
MW 672.79
Aromatic Rings 5
Heavy Atoms 50
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
37037136 10.1016/j.ejmech.2023.115334 Dual specificity protein kinase TTK 1
37037136 10.1016/j.ejmech.2023.115334 MDA-MB-468 1

Data from ChEMBL 36 via Core Engine