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Compound Detail

CHEMBL603076

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CC(=O)NCc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL603076
Phase Preclinical
Structure Type MOL
InChI Key YZEGLIPBNUNNGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
3.27
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O2
MW 389.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
20104850 10.1021/jm901084f Oxytocin receptor 3
20104850 10.1021/jm901084f Vasopressin V1a receptor 3

Data from ChEMBL 36 via Core Engine