Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01DB11
UNII: F5SXN2KNMR

Structure

InChI Key PEZPMAYDXJQYRV-UHFFFAOYSA-N
Smile NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O
InChI
InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19N5O2
Molecular Weight 325.37
AlogP 0.6
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 123.13
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
CROSS-LINKING AGENT DNA cross-linking agent PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma, Large B-Cell, Diffuse 3 D016403 ClinicalTrials
Lymphoma, Non-Hodgkin 3 D008228 ClinicalTrials
Lymphoma, Follicular 3 D008224 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 144510-96-3
ChEBI 135945
ChEMBL CHEMBL167731
DrugBank DB06193
DrugCentral 4330
EPA CompTox DTXSID10162744
FDA SRS F5SXN2KNMR
Guide to Pharmacology 7544
PubChem 134019
SureChEMBL SCHEMBL7825
ZINC ZINC000001535903