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Compound Detail

CHEMBL5089114

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CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C(=O)CNC(=O)/C=C/CN4CCOCC4)CC3)cc2)ncc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5089114
Phase Preclinical
Structure Type MOL
InChI Key KZFAAJULNWGREZ-QPJJXVBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

648.2
MW (Da)
2.63
ALogP
10
HBA
4
HBD
144.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H38ClN9O4
MW 648.17
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -1.69

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