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Compound Detail

CHEMBL304553

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O=C(O)CCNC(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304553
Phase Preclinical
Structure Type MOL
InChI Key AJOGEGJOGQIIKG-UHFFFAOYSA-N
0
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

423.2
MW (Da)
1.99
ALogP
7
HBA
2
HBD
155.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16Cl2N4O7
MW 423.21
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.03

Activity Summary

IC50 9 meas.

Literature References

PubMed DOI Target Context # Activities
17326614 10.1021/jm061062o V79 3
17326614 10.1021/jm061062o EMT6 3
17326614 10.1021/jm061062o WiDr 3
8035424 10.1021/jm00040a009 NON-PROTEIN TARGET 2
8035424 10.1021/jm00040a009 UV4 2
17326614 10.1021/jm061062o NON-PROTEIN TARGET 2
17326614 10.1021/jm061062o No relevant target 2
8035424 10.1021/jm00040a009 CHO-AA8 1
8035424 10.1021/jm00040a009 No relevant target 1
17326614 10.1021/jm061062o Unchecked 1

Data from ChEMBL 36 via Core Engine