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Compound Detail

CHEMBL5190694

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CC(C)(C)OC(=O)N1CCC(CCOc2cc(NC(=O)c3ncccn3)c3ncccc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5190694
Phase Preclinical
Structure Type MOL
InChI Key NFPHQCIYJKWZRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
4.69
ALogP
7
HBA
1
HBD
106.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N5O4
MW 477.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
35439009 10.1021/acs.jmedchem.1c02207 MIA PaCa-2 1
35439009 10.1021/acs.jmedchem.1c02207 PANC-1 1
35439009 10.1021/acs.jmedchem.1c02207 BXPC-3 1

Data from ChEMBL 36 via Core Engine