Details of the Drug

General Information of Drug (ID: DM2XVNI)

Drug Name
Levormeloxifene
Synonyms Centchroman; Centron; Levormeloxifene; Ormeloxifene; Saheli; NNC-46-0020; Non-steroidal (oral, contraception/cancer); Non-steroidal (oral, contraception/cancer), Central Drug Research Institute (CDRI)
Indication
Disease Entry ICD 11 Status REF
Breast cancer 2C60-2C65 Approved [1]
ATC Code
G03XC04: Levormeloxifene
G03XC: Selective estrogen receptor modulators
G03X: OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G: GENITO URINARY SYSTEM AND SEX HORMONES
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 457.6
Logarithm of the Partition Coefficient (xlogp) 6.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C30H35NO3
IUPAC Name
1-[2-[4-[(3R,4R)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethyl]pyrrolidine
Canonical SMILES
CC1([C@H]([C@@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C
InChI
InChI=1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3/t28-,29+/m1/s1
InChIKey
XZEUAXYWNKYKPL-WDYNHAJCSA-N
Cross-matching ID
PubChem CID
35805
ChEBI ID
CHEMBL301327
CAS Number
4-23-7
TTD ID
D0W9GA
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800009670)
2 Centchroman, a selective estrogen receptor modulator, as a contraceptive and for the management of hormone-related clinical disorders. Med Res Rev. 2001 Jul;21(4):302-47.