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Compound Detail

CHEMBL5184686

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CN(C)Cc1ccc2cccc(NC(=O)c3cnccn3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184686
Phase Preclinical
Structure Type MOL
InChI Key RVKKPROFVUXAQV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
2.34
ALogP
5
HBA
1
HBD
71.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N5O
MW 307.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.89

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