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Compound Detail

CHEMBL4780316

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COc1ccc2c(C3CC3)c(NC(=O)Nc3cnc(-n4nccn4)c(Cl)c3)cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4780316
Phase Preclinical
Structure Type MOL
InChI Key SLQRKCARQYFVRI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.9
MW (Da)
4.39
ALogP
7
HBA
2
HBD
106.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18ClN7O2
MW 435.88
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
31129051 10.1016/j.bmcl.2019.05.040 Mucosa-associated lymphoid tissue lymphoma translocation protein 1 1
31129051 10.1016/j.bmcl.2019.05.040 OCI-Ly3 1

Data from ChEMBL 36 via Core Engine