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Compound Detail

CHEMBL200904

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CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3c(C(=O)O)cccc23)c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200904
Phase Preclinical
Structure Type MOL
InChI Key FUFZXBPFZRPAOZ-QNEJGDQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

614.1
MW (Da)
5.06
ALogP
8
HBA
3
HBD
165.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28ClN5O7S
MW 614.08
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.21

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