General Information of the Compound
Compound ID
CP0024991
Compound Name
LY2606368
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Synonyms
1234015-52-1
5-((5-(2-(3-aminopropoxy)-6-methoxyphenyl)-1H-pyrazol-3-yl)amino)pyrazine-2-carbonitrile
5-({5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl}amino)pyrazine-2-carbonitrile
5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
820NH671E6
AOB87325
CHEMBL3544911
DOTGPNHGTYJDEP-UHFFFAOYSA-N
EX-A758
GTPL9549
LY-2606368
LY2606368
Prexasertib
Prexasertib [USAN]
SCHEMBL18989301
SCHEMBL19457660
SCHEMBL1975451
UNII-820NH671E6
ZINC95837013
prexasertib
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Structure
Formula
C18H19N7O2
Molecular Weight
365.397
Canonical SMILES
COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
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InChI
InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)
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InChIKey
DOTGPNHGTYJDEP-UHFFFAOYSA-N
CAS
1234015-52-1
Physicochemical Property
logP
2.21818
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
134.76
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
27

"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: 46700756
SID: 99220228
ChEMBL ID
CHEMBL3544911
DrugBank ID
DB12008
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000091 MV4-11 Homo sapiens (Human)  1
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( LY2606368 )
Drug Name LY2606368
Company Eli Lilly, Indianapolis, IN
Indication
Ovarian cancer
Phase 2
Small-cell lung cancer
Phase 2
Solid tumour/cancer
Phase 1
Head and neck cancer
Phase 1
Squamous cell anal carcinoma
Phase 1
Target(s)
Checkpoint kinase-1 (CHK1)
Inhibitor