Details of the Drug

General Information of Drug (ID: DMU901D)

• Drug Name: L-MDAM
• Synonyms: L-MDAM; 176857-41-3; UNII-W9CXL7O6LL; W9CXL7O6LL; GAMMA-METHYLENE-10-DEAZAAMINOPTERIN; MDAM; SCHEMBL1065136; ZINC1542008; KB-78169; Z-3290; L-Glutamic acid, N-(4-(2-(2,4-diamino-6-pteridinyl)ethyl)benzoyl)-4-methylene-; (2S)-2-[4-[2-(2,4-Diamino-6-pteridinyl)ethyl]benzoylamino]-4-methyleneglutaric acid

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 451.4
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C21H21N7O5
  IUPAC Name: (2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid
  Canonical SMILES: C=C(C[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O
  InChI: InChI=1S/C21H21N7O5/c1-10(19(30)31)8-14(20(32)33)26-18(29)12-5-2-11(3-6-12)4-7-13-9-24-17-15(25-13)16(22)27-21(23)28-17/h2-3,5-6,9,14H,1,4,7-8H2,(H,26,29)(H,30,31)(H,32,33)(H4,22,23,24,27,28)/t14-/m0/s1
  InChIKey: QCLDSHDOWCMFBV-AWEZNQCLSA-N
• Cross-matching ID:
  PubChem CID: 9803852
  CAS Number: 176857-41-3
  TTD ID: D0S9OH
• 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
Dihydrofolate reductase (DHFR)	TTYZVDJ	DYR_HUMAN	Inhibitor	[2]

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 800006614)
• [2] Polyglutamylation of the dihydrofolate reductase inhibitor gamma-methylene-10-deazaaminopterin is not essential for antitumor activity. Clin Cancer Res. 1996 Apr;2(4):707-12.