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Compound Detail

CHEMBL9560

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CC(=O)OCCNP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL9560
Phase Preclinical
Structure Type MOL
InChI Key HKGNUYJTHMAKNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

508.4
MW (Da)
2.17
ALogP
10
HBA
2
HBD
186.7
PSA (Ų)
0.11
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 C20H25N6O8P
MW 508.43
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.43

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.5 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
9871705 10.1016/s0960-894x(98)00158-9 CCRF-CEM 2
9871705 10.1016/s0960-894x(98)00158-9 ADMET 1

Data from ChEMBL 36 via Core Engine