Details of the Drug

General Information of Drug (ID: DMEW62S)

Drug Name
AB-106
Synonyms DS6051b; GTPL11198; AB106
Indication
Disease Entry ICD 11 Status REF
Non-small-cell lung cancer 2C25 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 405.5
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C23H24FN5O
IUPAC Name
3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
Canonical SMILES
CC(COC1=CC=C(C=C1)C2=CN=C3N2N=C(C=C3)NC(C)C4=CC(=CC=C4)F)N
InChI
InChI=1S/C23H24FN5O/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18/h3-13,15-16H,14,25H2,1-2H3,(H,27,28)
InChIKey
HEVHTYMYEMEBPX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
154699459
TTD ID
D2KV8B

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Proto-oncogene c-Ros (ROS1) TTSZ6Y3 ROS1_HUMAN Inhibitor [2]
Tropomyosin receptor kinase (Trk) TTJOCTY NTRK1_HUMAN ; NTRK2_HUMAN ; NTRK3_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Non-small-cell lung cancer
ICD Disease Classification 2C25
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Proto-oncogene c-Ros (ROS1) DTT ROS1 1.45E-44 -1.01 -1.9
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT04395677) A Study of AB-106 in Subjects With Advanced NSCLC Harboring ROS1 Fusion Gene. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of AnHeart Therapeutics.