Details of the Drug

General Information of Drug (ID: DM50HB8)

Drug Name
AN-10
Synonyms Novaheme
Indication
Disease Entry ICD 11 Status REF
Alopecia ED70 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 234.29
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H18N2O2
IUPAC Name
ethyl 2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate
Canonical SMILES
CCOC(=O)C1CC(NC2=CC=CC=C2N1)C
InChI
InChI=1S/C13H18N2O2/c1-3-17-13(16)12-8-9(2)14-10-6-4-5-7-11(10)15-12/h4-7,9,12,14-15H,3,8H2,1-2H3
InChIKey
MGQPKIPVCPMXQF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
55763
CAS Number
87896-36-4
TTD ID
D0Q5QE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hemoglobin (HB) TTQO71U HBA_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 800008114)
2 Genes for Development, Cell Growth and Infectious Diseases, Gabriel Gachelin, 1995. Page(215).