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Compound Detail

CHEMBL491143

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Cc1cccc(C)c1N1CCN(C(=O)CCN(C)CCC2c3ccccc3-c3ccccc32)CC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491143
Phase Preclinical
Structure Type MOL
InChI Key HPERWXIBXUSBPL-UHFFFAOYSA-N
Parent Compound CHEMBL1187126
Active Moiety CHEMBL1187126
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.7
MW (Da)
5.48
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H38ClN3O
MW 504.12
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
19208473 10.1016/j.bmcl.2009.01.072 Somatostatin receptor type 1 1

Data from ChEMBL 36 via Core Engine