Details of the Drug

General Information of Drug (ID: DMQZ6SE)

Drug Name
KW-2149
Synonyms KT-6149; E-90/007; Mitomycin C derivatives (cancer), Kyowa
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 598.7
Logarithm of the Partition Coefficient (xlogp) -3.6
Rotatable Bond Count (rotbonds) 16
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 14
Chemical Identifiers
Formula
C24H34N6O8S2
IUPAC Name
(2S)-2-amino-5-[2-[2-[[(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]ethylamino]-5-oxopentanoic acid
Canonical SMILES
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NCCSSCCNC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C24H34N6O8S2/c1-11-17(28-6-8-40-39-7-5-27-15(31)4-3-13(25)22(34)35)20(33)16-12(10-38-23(26)36)24(37-2)21-14(29-21)9-30(24)18(16)19(11)32/h12-14,21,28-29H,3-10,25H2,1-2H3,(H2,26,36)(H,27,31)(H,34,35)/t12-,13+,14+,21+,24-/m1/s1
InChIKey
BIOSTZMAOGCGSC-CYUGEGSCSA-N
Cross-matching ID
PubChem CID
108151
CAS Number
118359-59-4
TTD ID
D0L5BK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human Deoxyribonucleic acid (hDNA) TTUTN1I NOUNIPROTAC Binder [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 800002474)
2 KW-2149 (7-N-[2-[gamma-L-glutamylamino]ethyldithioethyl] mitomycin C): DNA interactions and drug uptake following serum activation. Biochem Pharmacol. 1998 Jun 1;55(11):1777-83.