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Compound Detail

CHEMBL5198922

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O=C(Nc1cc(OCCC2CCNCC2)cc2cccnc12)c1ncccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5198922
Phase Preclinical
Structure Type MOL
InChI Key DBAYFMHXLSNPHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
3.05
ALogP
6
HBA
2
HBD
89.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N5O2
MW 377.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.98

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