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Compound Detail

CHEMBL670

TEPA
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O=P(N1CC1)(N1CC1)N1CC1

Basic Information

ChEMBL ID CHEMBL670
Name TEPA
Phase Preclinical
Structure Type MOL
InChI Key FYAMXEPQQLNQDM-UHFFFAOYSA-N

Known Names

TEPA (possesses cytotoxic activity)
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
1
Known Names

Molecular Properties

173.2
MW (Da)
0.04
ALogP
1
HBA
0
HBD
26.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H12N3OP
MW 173.16
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness -0.04

Activity Summary

IC50 2 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
IC50 6.66 6.66 220.0 1
D(1A) dopamine receptor
CHEMBL265
IC50 6.37 6.37 430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3806574 10.1021/jm00157a023 Mus musculus 6
2431142 10.1021/jm00161a016 P388 5
2431142 10.1021/jm00161a016 ADMET 1
3806574 10.1021/jm00157a023 No relevant target 1
9767652 10.1021/jm980284m D(2) dopamine receptor 1
9767652 10.1021/jm980284m D(1A) dopamine receptor 1

Data from ChEMBL 36 via Core Engine