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Compound Detail

CHEMBL5440459

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COc1cc2ncnc(Nc3ccc(C(=O)NNC(=O)C(c4ccccc4)N4Cc5ccccc5C4=O)cc3)c2cc1OCCCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5440459
Phase Preclinical
Structure Type MOL
InChI Key XOAOWYQFVBYQOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

701.8
MW (Da)
4.64
ALogP
10
HBA
3
HBD
147.2
PSA (Ų)
0.12
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H39N7O6
MW 701.78
Aromatic Rings 5
Heavy Atoms 52
NP-Likeness -1.21

Literature References

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

Data from ChEMBL 36 via Core Engine