CPP-115

Search structure


Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	0285I2MVUA

Structure


InChI Key	CBSRETZPFOBWNG-UCORVYFPSA-N
Smile	N[C@H]1C[C@@H](C(=O)O)CC1=C(F)F
InChI	InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C7H9F2NO2
Molecular Weight	177.15
AlogP	0.96
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	63.32
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	12.0

Pharmacology

	Primary Target
4-aminobutyrate aminotransferase

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Cocaine-Related Disorders	1	D019970	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL4297273
EPA CompTox	DTXSID70226977
FDA SRS	0285I2MVUA
Guide to Pharmacology	8284
PubChem	9794014
SureChEMBL	SCHEMBL2408171
ChEMBL	CHEMBL146927
EPA CompTox	DTXSID10214277
FDA SRS	0285I2MVUA
Guide to Pharmacology	8284
PubChem	9794014
SureChEMBL	SCHEMBL2408171

CONTENTS