Details of the Drug

General Information of Drug (ID: DM0LKHV)

Drug Name
B7-2/GM-CSF
Indication
Disease Entry ICD 11 Status REF
Dementia 6D80-6D86 Phase 1 [1]
Dyslipidemia 5C80-5C81 Phase 1 [2]
Schizophrenia 6A20 Phase 1 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1 [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 328.4
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H24O4
IUPAC Name
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
Canonical SMILES
CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O
InChI
InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
InChIKey
QNAZTOHXCZPOSA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9862248
ChEBI ID
CHEBI:79988
CAS Number
211110-63-3
UNII
XQ31741E9Q
DrugBank ID
DB07425
TTD ID
D01QXY
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor M1 (CHRM1) TTZ9SOR ACM1_HUMAN Agonist [4]
Thyroid hormone receptor (THR) TTQWUPT NOUNIPROTAC Agonist [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 06 Mental, behavioural or neurodevelopmental disorder
Disease Class ICD-11: 6A20 Schizophrenia
The Studied Tissue Pre-frontal cortex
The Studied Disease Schizophrenia [ICD-11:6A20]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Muscarinic acetylcholine receptor M1 (CHRM1) DTT CHRM1 8.42E-02 -0.38 -0.24
Muscarinic acetylcholine receptor M1 (CHRM1) DTT CHRM1 2.55E-01 0.14 0.37
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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 800028844)
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2639).
3 GM-CSF-Secreting Vaccines for Solid Tumors: Moving Forward. Discov Med. 2010 July; 10(50): 52-60.
4 Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
5 Sobetirome: a case history of bench-to-clinic drug discovery and development. Heart Fail Rev. 2010 Mar;15(2):177-82.