NIMUSTINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01AD06
UNII: 0S726V972K

Structure
InChI Key VFEDRRNHLBGPNN-UHFFFAOYSA-N
Smile Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1
InChI
InChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13ClN6O2
Molecular Weight 272.7
AlogP 0.8
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 113.57
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 112

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioblastoma 2 D005909 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 42471-28-3
ChEBI 75270
ChEMBL CHEMBL136737
DrugBank DB13069
DrugCentral 3384
EPA CompTox DTXSID0045179
FDA SRS 0S726V972K
PubChem 39214
SureChEMBL SCHEMBL8414
ZINC ZINC000003979156
CONTENTS