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Compound Detail

CHEMBL609682

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

Basic Information

ChEMBL ID CHEMBL609682
Phase Preclinical
Structure Type MOL
InChI Key OPNMQILUEIDAFS-UHFFFAOYSA-N
Parent Compound CHEMBL1198653
Active Moiety CHEMBL1198653
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

509.7
MW (Da)
3.48
ALogP
5
HBA
5
HBD
110.8
PSA (Ų)
0.09
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N8O5S
MW 572.69
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.08

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