General Information of the Compound
Compound ID
CP0036767
Compound Name
S-L-365,260
    Show/Hide
Synonyms
(R)-L 365260
1-(1-Methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea
1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea
1-Methyl-3-[3-(3-methylphenyl)ureido]-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one
AC1L2XQK
BDBM50452555
CHEMBL289498
GTPL3477
GTPL879
KDFQABSFVYLGPM-UHFFFAOYSA-N
L 365260
L-365260
L000333
L365260
SCHEMBL1650330
[3H]L-365,260
[3H]L365260
    Show/Hide
Structure
Formula
C24H22N4O2
Molecular Weight
398.466
Canonical SMILES
CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
    Show/Hide
InChI
InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
    Show/Hide
InChIKey
KDFQABSFVYLGPM-QFIPXVFZSA-N
Physicochemical Property
logP
3.95662
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
73.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5311201
SID: 14903515
ChEMBL ID
CHEMBL9387
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: PT00958, Cholecystokinin receptor type A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 158.49 nM
   TI
   LI
   LO
   TS
CL000048 PC-3 Homo sapiens (Human)  1
1
Ki = 173.78 nM
   TI
   LI
   LO
   TS
Protein ID: PT01124, Gastrin/cholecystokinin type B receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
IC50 = 6.31 nM
   TI
   LI
   LO
   TS
2
Ki = 14 nM
   TI
   LI
   LO
   TS
3
Ki = 18 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 7.762 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM
2 IC50 = 4 nM
3 IC50 = 8.5 nM
4 IC50 = 29 nM
5 Ki = 1.585 nM
6 Ki = 2.951 nM
Protein ID: PT02587, Gastrin/cholecystokinin type B receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 15 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 39 nM
Clinical Information about the Compound
Drug 1 ( L-365260 )
Drug Name L-365260
Indication
Anxiety disorder
Discontinued in Phase 2
Target(s)
Gastrin/cholecystokinin type B receptor (CCKBR)
Modulator