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Compound Detail

CHEMBL609681

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CCNC(=O)NCCNC(=O)c1cccc2c(NCCN(C)/C(S)=N/C)c3ccccc3nc12.O=[N+]([O-])O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL609681
Phase Preclinical
Structure Type MOL
InChI Key AOSFSCCOVHZVEE-UHFFFAOYSA-N
Parent Compound CHEMBL1199223
Active Moiety CHEMBL1199223
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
2.70
ALogP
5
HBA
5
HBD
110.8
PSA (Ų)
0.11
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N8O5S
MW 544.64
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
16722638 10.1021/jm060035v HL-60 1
16722638 10.1021/jm060035v NCI-H460 1

Data from ChEMBL 36 via Core Engine