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Compound Detail

CHEMBL1801859

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CC(C)=CC(=O)N(Cc1ccc2nc(C)n(C)c(=O)c2c1)c1ccc(C(=O)NCc2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1801859
Phase Preclinical
Structure Type MOL
InChI Key AHTJSJNGHFIONK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
4.07
ALogP
6
HBA
1
HBD
97.2
PSA (Ų)
0.39
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 C29H29N5O3
MW 495.58
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.41

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