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Compound Detail

CHEMBL5089411

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CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C(=O)CNC(=O)/C=C/c4ccccc4)CC3)cc2)ncc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5089411
Phase Preclinical
Structure Type MOL
InChI Key FCOQRCLWXISHSX-LFIBNONCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

625.1
MW (Da)
4.46
ALogP
8
HBA
4
HBD
131.6
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H33ClN8O3
MW 625.13
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
34757216 10.1016/j.bmcl.2021.128433 HeLa 1
34757216 10.1016/j.bmcl.2021.128433 HCT-116 1
34757216 10.1016/j.bmcl.2021.128433 MDA-MB-231 1
34757216 10.1016/j.bmcl.2021.128433 Focal adhesion kinase 1 1

Data from ChEMBL 36 via Core Engine