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Compound Detail

CHEMBL1801858

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Cc1nc2ccc(CN(C(=O)C3CC3)c3ccc(C(=O)NCc4cccnc4)cc3)cc2c(=O)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1801858
Phase Preclinical
Structure Type MOL
InChI Key RRQXCHMTVWLABU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
3.51
ALogP
6
HBA
1
HBD
97.2
PSA (Ų)
0.44
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 C28H27N5O3
MW 481.56
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.78

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