General Information of the Compound
Compound ID
CP0184120
Compound Name
2-(4-Hydroxy-phenyl)-3-methyl-1-(6-pyrrolidin-1-yl-hexyl)-1H-indol-5-ol
    Show/Hide
Synonyms
127451-69-8
1H-Indol-5-ol, 2-(4-hydroxyphenyl)-3-methyl-1-(6-(1-pyrrolidinyl)hexyl)-
2-(4-Hydroxyphenyl)-3-methyl-1-(6-(1-pyrrolidinyl)hexyl)indol-5-ol
2-(4-hydroxyphenyl)-3-methyl-1-(6-pyrrolidin-1-ylhexyl)indol-5-ol
80Z22M837F
AC1L2YAG
BDBM50099586
CHEMBL46903
DTXSID50155574
LS-191850
SCHEMBL9028173
UNII-80Z22M837F
ZK 119010
ZK-119010
zk119010
    Show/Hide
Structure
Formula
C25H32N2O2
Molecular Weight
392.543
Canonical SMILES
Cc1c(-c2ccc(O)cc2)n(CCCCCCN2CCCC2)c2ccc(O)cc12
    Show/Hide
InChI
InChI=1S/C25H32N2O2/c1-19-23-18-22(29)12-13-24(23)27(25(19)20-8-10-21(28)11-9-20)17-5-3-2-4-14-26-15-6-7-16-26/h8-13,18,28-29H,2-7,14-17H2,1H3
    Show/Hide
InChIKey
SACIXOLGIWUXTG-UHFFFAOYSA-N
CAS
127451-69-8
Physicochemical Property
logP
5.68412
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
48.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 130936
SID: 14878661
ChEMBL ID
CHEMBL46903
Clinical Information about the Compound
Drug 1 ( ZK-119010 )
Drug Name ZK-119010
Indication
Carcinoma
Terminated
Target(s)
Estrogen receptor beta (ESR2)
 Target Info 
Inhibitor
Estrogen receptor (ESR)
 Target Info 
Inhibitor