Details of the Drug

General Information of Drug (ID: DMKFYDE)

Drug Name
ZK-119010
Synonyms
ZK-119010; ZK 119010; UNII-80Z22M837F; CHEMBL46903; 80Z22M837F; 127451-69-8; AC1L2YAG; 2-(4-Hydroxyphenyl)-3-methyl-1-(6-(1-pyrrolidinyl)hexyl)indol-5-ol; SCHEMBL9028173; DTXSID50155574; zk119010; BDBM50099586; 1H-Indol-5-ol, 2-(4-hydroxyphenyl)-3-methyl-1-(6-(1-pyrrolidinyl)hexyl)-; LS-191850; 2-(4-hydroxyphenyl)-3-methyl-1-(6-pyrrolidin-1-ylhexyl)indol-5-ol
Indication
Disease Entry ICD 11 Status REF
Carcinoma 2A00-2F9Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 392.5
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C25H32N2O2
IUPAC Name
2-(4-hydroxyphenyl)-3-methyl-1-(6-pyrrolidin-1-ylhexyl)indol-5-ol
Canonical SMILES
CC1=C(N(C2=C1C=C(C=C2)O)CCCCCCN3CCCC3)C4=CC=C(C=C4)O
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
InChIKey
SACIXOLGIWUXTG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
130936
ChEBI ID
CHEMBL46903
CAS Number
127451-69-8
TTD ID
D0H5CV
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Inhibitor [2]
Estrogen receptor beta (ESR2) TTOM3J0 ESR2_HUMAN Inhibitor [2]
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References

1 Pharmacological characterization of a novel oestrogen antagonist, ZK 119010, in rats and mice. J Endocrinol. 1991 Sep;130(3):409-14.
2 2-Phenylindole-linked [2-(aminoalkyl)pyridine]dichloroplatinum(II): complexes with a selective action on estrogen receptor positive mammary tumors. J Med Chem. 1991 Jul;34(7):2145-52.