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Compound Detail

CHEMBL544620

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Cl.Cl.c1cc(-c2[nH]c(-c3ccncc3)c3c2C2CCC3C2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL544620
Phase Preclinical
Structure Type MOL
InChI Key UZHUVVLOHLBXEC-UHFFFAOYSA-N
Parent Compound CHEMBL1193247
Active Moiety CHEMBL1193247
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
4.50
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19Cl2N3
MW 360.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
11101350 10.1021/jm990965x Prostaglandin G/H synthase 2 1
11101350 10.1021/jm990965x Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine