Details of the Drug

General Information of Drug (ID: DMK2L38)

• Drug Name: M3814
• Synonyms: MOWXJLUYGFNTAL-DEOSSOPVSA-N; M-3814; 1637542-33-6; M-3814(nedisertib); nedisertib (proposed INN); UNII-GN429E725A; GTPL9766; SCHEMBL16235559; GN429E725A; MSC2490484A; EX-A1679; example 136 [WO2014183850]; HY-101570; CS-0021723; (S)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol

Indication

Disease Entry	ICD 11	Status	REF
Locally advanced rectal cancer	2B92	Phase 1/2	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[2]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 481.9
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C24H21ClFN5O3
  IUPAC Name: (S)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
  Canonical SMILES: COC1=NN=C(C=C1)[C@H](C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)Cl)O
  InChI: InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
  InChIKey: MOWXJLUYGFNTAL-DEOSSOPVSA-N
• Cross-matching ID:
  PubChem CID: 86292849
  CAS Number: 1637542-33-6
  TTD ID: D0H3UR
• 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
DNA-dependent protein kinase catalytic (PRKDC)	TTK3PY9	PRKDC_HUMAN	Inhibitor	[2]

References

• [1] ClinicalTrials.gov (NCT03770689) Study of Peposertib in Combination With Capecitabine and Radiotherapy in Rectal Cancer. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)