Details of the Drug

General Information of Drug (ID: DM73C4K)

• Drug Name: Cryptophycin
• Synonyms: Cryptophycin 1; cryptophycin; UNII-XO974V2M5T; 124689-65-2; XO974V2M5T; 10-((3-Chloro-4-methoxyphenyl)methyl)-6-methyl-3-(2-methylpropyl)-16-(1-(3-phenyloxiranyl)ethyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone; CRYPTOPHYCIN A; 1,4-Dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone, 10-((3-chloro-4-methoxyphenyl)methyl)-6-methyl-3-(2-methylpropyl)-16-(1-(3-phenyloxiranyl)ethyl)-; C35H43ClN2O8; AC1O5PMQ; CHEMBL441018; SCHEMBL1346966; PSNOPSMXOBPNNV-VVCTWANISA-N; LS-172597; C16877
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 655.2
  Logarithm of the Partition Coefficient (xlogp); 6.2
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C35H43ClN2O8
  IUPAC Name: (3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
  Canonical SMILES: C[C@@H]1CNC(=O)[C@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
  InChI: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26-,27+,29+,31-,32-/m1/s1
  InChIKey: PSNOPSMXOBPNNV-VVCTWANISA-N
• Cross-matching ID:
  PubChem CID: 6438401
  CAS Number: 124689-65-2
  TTD ID: D0LI3C

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tubulin (TUB)	TTML2WA	NOUNIPROTAC	Inducer	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tubulin (TUB)	DTT	NO-GeName	7.94E-02	0.35	0.43

References

• [1] Single-walled tubulin ring polymers. Biopolymers. 2007 Aug 5-15;86(5-6):424-36.