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Compound Detail

CHEMBL331591

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COc1cc(C)cc2c1Oc1ccc([C@@H](O)CC(C)C)c(OC)c1C(=O)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331591
Phase Preclinical
Structure Type MOL
InChI Key GQDGZJROZVGMME-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
4.55
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26O6
MW 386.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.84

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80905-7 Oxytocin receptor 1
- 10.1016/S0960-894X(01)80905-7 Vasopressin V2 receptor 1

Data from ChEMBL 36 via Core Engine