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Compound Detail

CHEMBL5399816

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C=CC(=O)Nc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nc(-n2ccc(C(=O)Nc3c(CC)cccc3CC)c2)c2cn[nH]c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5399816
Phase Preclinical
Structure Type MOL
InChI Key NCAJNMIQZYBCNB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

646.8
MW (Da)
5.06
ALogP
9
HBA
4
HBD
153.2
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H38N10O3
MW 646.76
Aromatic Rings 5
Heavy Atoms 48
NP-Likeness -1.58

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