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Compound Detail

CHEMBL185963

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CCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185963
Phase Preclinical
Structure Type MOL
InChI Key OMBZSIUWKVHPHP-UHFFFAOYSA-N
Parent Compound CHEMBL1181624
Active Moiety CHEMBL1181624
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.8
MW (Da)
3.57
ALogP
5
HBA
2
HBD
66.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClF3N4O4
MW 460.84
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
15509177 10.1021/jm049737f Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine