General Information of the Compound
Compound ID
CP0915358
Compound Name
(R)-6-chloro-3-(1-methyl-1H-pyrazol-4-yl)-N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
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Formula
C16H19ClN6
Molecular Weight
330.823
Canonical SMILES
CN1CC[C@@H](Nc2cc3c(-c4cnn(C)c4)n[nH]c3cc2Cl)C1
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InChI
InChI=1S/C16H19ClN6/c1-22-4-3-11(9-22)19-15-5-12-14(6-13(15)17)20-21-16(12)10-7-18-23(2)8-10/h5-8,11,19H,3-4,9H2,1-2H3,(H,20,21)/t11-/m1/s1
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InChIKey
BMXFYHZEYCIVFI-LLVKDONJSA-N
Physicochemical Property
logP
2.7328
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
61.77
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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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ChEMBL ID
CHEMBL4860788
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: PT01128, Tyrosine-protein kinase receptor UFO
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 8960 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 74000 nM