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Compound Detail

CHEMBL1801868

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C#CCN(Cc1coc2nc(N)nc(N)c12)c1ccc(C(=O)NCc2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1801868
Phase Preclinical
Structure Type MOL
InChI Key VVCIVKBXTMYDPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
2.35
ALogP
8
HBA
3
HBD
136.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N7O2
MW 427.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
21080724 10.1021/jm101145b Nicotinamide phosphoribosyltransferase 2
21080724 10.1021/jm101145b HCT-116 1

Data from ChEMBL 36 via Core Engine