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Compound Detail

CHEMBL5209250

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Cc1cnc(C(=O)Nc2cc(OCCN)cc3cccnc23)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5209250
Phase Preclinical
Structure Type MOL
InChI Key HWXOSKOPQHULJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
1.92
ALogP
6
HBA
2
HBD
103.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N5O2
MW 323.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.41

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