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Compound Detail

CHEMBL40458

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N=C(NCCCc1ccccc1)NCCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40458
Phase Preclinical
Structure Type MOL
InChI Key KPFXBHZYPVJJDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

615.8
MW (Da)
5.88
ALogP
3
HBA
4
HBD
97.3
PSA (Ų)
0.09
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H45N5O2
MW 615.82
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
10915060 10.1016/s0960-894x(00)00292-4 Neuropeptide Y receptor type 1 1

Data from ChEMBL 36 via Core Engine