General Information of the Compound
Compound ID
CP0926263
Compound Name
(R)-4-(3-(methylamino)pyrrolidin-1-yl)-5H-indeno[1,2-d]pyrimidin-2-amine
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Structure
Formula
C16H19N5
Molecular Weight
281.363
Canonical SMILES
CN[C@@H]1CCN(c2nc(N)nc3c2Cc2ccccc2-3)C1
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InChI
InChI=1S/C16H19N5/c1-18-11-6-7-21(9-11)15-13-8-10-4-2-3-5-12(10)14(13)19-16(17)20-15/h2-5,11,18H,6-9H2,1H3,(H2,17,19,20)/t11-/m1/s1
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InChIKey
PTDHIIWRLMCNKG-LLVKDONJSA-N
Physicochemical Property
logP
1.4281
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
67.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 44568790
ChEMBL ID
CHEMBL446269
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: PT02519, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 19.05 nM
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