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Compound Detail

CHEMBL2322375

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Cc1c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cccc1-c1nc2cc(N3CCCC3)ncc2[nH]1

Basic Information

ChEMBL ID CHEMBL2322375
Phase Preclinical
Structure Type MOL
InChI Key WTAKMNNJNRIVIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
5.43
ALogP
5
HBA
1
HBD
88.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N6O
MW 490.61
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
24900571 10.1021/ml300335r Fatty acid synthase 2
24900571 10.1021/ml300335r Unchecked 1
24900571 10.1021/ml300335r Huh-7 1
24900571 10.1021/ml300335r Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine