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Compound Detail

CHEMBL200738

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CCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccc(S(=O)(=O)O)cc23)c2ccc(C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200738
Phase Preclinical
Structure Type MOL
InChI Key TVYKZKRSYDWJQH-BYYHNAKLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

572.6
MW (Da)
4.33
ALogP
8
HBA
3
HBD
178.8
PSA (Ų)
0.20
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N4O8S2
MW 572.62
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
16302826 10.1021/jm050645f Oxytocin receptor 1
16302826 10.1021/jm050645f Vasopressin V1a receptor 1

Data from ChEMBL 36 via Core Engine