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Compound Detail

CHEMBL5421438

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Cn1nc(NCc2cccc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)c2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5421438
Phase Preclinical
Structure Type MOL
InChI Key KXRBLQPDZJZWBX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

522.4
MW (Da)
5.09
ALogP
5
HBA
1
HBD
70.5
PSA (Ų)
0.40
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25Cl2N5O2
MW 522.44
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
36649216 10.1021/acs.jmedchem.2c01410 Mitogen-activated protein kinase 8 1
36649216 10.1021/acs.jmedchem.2c01410 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine