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Compound Detail

CHEMBL200498

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CCOc1ccc(S(=O)(=O)N(CCC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccc(C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200498
Phase Preclinical
Structure Type MOL
InChI Key PJOYUFYVLCJASN-ZQHSETAFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
5.48
ALogP
6
HBA
2
HBD
124.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N4O5S
MW 506.58
Aromatic Rings 4
Heavy Atoms 36
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