General Information of the Compound
Compound ID
CP0113847
Compound Name
(+/-)-SKF-38393
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Synonyms
1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol
1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-
2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol
2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine
5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
67287-49-4
BRN 1543419
C16H17NO2
CHEMBL286080
F 38393
F-38393
SK-38393
SKF 38393
SKF-38,393
SKF-38393
SKF38393
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Structure
Formula
C16H17NO2
Molecular Weight
255.317
Canonical SMILES
Oc1cc2CCNCC(c3ccccc3)c2cc1O
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InChI
InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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InChIKey
JUDKOGFHZYMDMF-UHFFFAOYSA-N
CAS
67287-49-4
Physicochemical Property
logP
2.3754
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
52.49
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 1242
SID: 12013073
ChEMBL ID
CHEMBL286080
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 1380.38 nM
   TI
   LI
   LO
   TS
2
Ki = 83.18 nM
   TI
   LI
   LO
   TS
Protein ID: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 = 130 nM
   TI
   LI
   LO
   TS
2
EC50 = 300 nM
   TI
   LI
   LO
   TS
3
Ki = 393 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 665.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 247.5 nM
Protein ID: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000049 C6 Rattus norvegicus (Rat)  1
1
Kd = 46000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SKF 38393 )
Drug Name SKF 38393
Indication
Type-2 diabetes
Terminated
Target(s)
Dopamine D1 receptor (D1R)
Modulator