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Compound Detail

CHEMBL61511

PERFOSFAMIDE
🧪 Phase II
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🧪 Phase II
O=P1(N(CCCl)CCCl)NC(OO)CCO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL61511
Name PERFOSFAMIDE
Phase Phase II
Structure Type MOL
InChI Key VPAWVRUHMJVRHU-UHFFFAOYSA-N

Known Names

4-HC 4-hydroperoxycyclophosphamide NSC-181815 Perfosfamida Perfosfamide Pergamid
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
11
Publications
6
Known Names
4
Indications

Molecular Properties

293.1
MW (Da)
1.70
ALogP
4
HBA
2
HBD
71.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Stem -fos-; -fosfamide
USAN Year 1991

Extended Properties

Molecular Formula C7H15Cl2N2O4P
MW 293.09
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.52

Indications

Lymphoma Multiple Myeloma Neoplasms, Plasma Cell Neuroblastoma

Activity Summary

IC50 3 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
V79
CHEMBL614074
 IC50 5.57 5.54 2700.0 2
L1210
CHEMBL386
 IC50 4.05 4.05 90000.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.25 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
V79 IC50 = 2700.0 nM 5.57 Antiproliferative activity against NTR expressing chinese hamster V79 cells afte... 16821793
V79 IC50 = 3100.0 nM 5.51 Antiproliferative activity against chinese hamster V79 cells after 72 hrs 16821793
L1210 IC50 = 90000.0 nM 4.05 Concentration required to reduce the viability of L1210 cells by 50% after 1-h i... 1992116

Literature References

PubMed DOI Target Context # Activities
1920355 10.1021/jm00114a013 L1210 9
1920355 10.1021/jm00114a013 P388 3
16821793 10.1021/jm051246n V79 3
15239662 10.1021/jm0304764 P388 2
10841804 10.1021/jm0001020 HT-29 2
1992116 10.1021/jm00105a030 L1210 1
15239662 10.1021/jm0304764 ADMET 1
1920355 10.1021/jm00114a013 ADMET 1
10841804 10.1021/jm0001020 B16 1
10841804 10.1021/jm0001020 MCF7 1
10841804 10.1021/jm0001020 MCF7-CP 1

Data from ChEMBL 36 via Core Engine