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Compound Detail

CHEMBL5409028

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CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(NC(=O)C(c4ccccc4)N4Cc5ccccc5C4=O)cc3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5409028
Phase Preclinical
Structure Type MOL
InChI Key LFRZHKHGUPNHRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

617.7
MW (Da)
4.79
ALogP
8
HBA
4
HBD
141.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H35N7O4
MW 617.71
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
37952262 10.1016/j.bmc.2023.117534 Unchecked 3
37952262 10.1016/j.bmc.2023.117534 NCI-H1975 1
37952262 10.1016/j.bmc.2023.117534 A549 1

Data from ChEMBL 36 via Core Engine