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Compound Detail

CHEMBL4216873

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Cc1ccn(-c2ccc(C(=O)N3CCCC(=O)c4ccccc43)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4216873
Phase Preclinical
Structure Type MOL
InChI Key CHFBCWUHPUVZJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
3.80
ALogP
4
HBA
0
HBD
55.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O2
MW 345.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
30199637 10.1021/acs.jmedchem.8b00697 Vasopressin V1a receptor 3
30199637 10.1021/acs.jmedchem.8b00697 Vasopressin V2 receptor 3
30199637 10.1021/acs.jmedchem.8b00697 Oxytocin receptor 3

Data from ChEMBL 36 via Core Engine