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Compound Detail

CHEMBL309287

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CCNCCCCNC1CCC(NCCCCNCC)CC1

Basic Information

ChEMBL ID CHEMBL309287
Phase Preclinical
Structure Type MOL
InChI Key YKGBMXAHALDFPL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.6
MW (Da)
2.26
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H40N4
MW 312.55
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.13

Activity Summary

Ki 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
Ki 5.46 5.46 3500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 Ki = 3500.0 nM 5.46 In vitro inhibition of uptake [3H]-spermidine in L1210 (murine leukemia) cells. 8691443

Literature References

PubMed DOI Target Context # Activities
8691443 10.1021/jm950827h L1210 1

Data from ChEMBL 36 via Core Engine