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Compound Detail

CHEMBL2181367

FOSIFLOXURIDINE NAFALBENAMIDE
🧪 Phase II
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🧪 Phase II
C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc12)C(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2181367
Name FOSIFLOXURIDINE NAFALBENAMIDE
Phase Phase II
Structure Type MOL
InChI Key BIOWRMNRHMERIO-ZVAHOJSLSA-N

Known Names

CPF-373 Fosifloxuridina nafalbenamida Fosifloxuridine nafalbenamide NUC-3073 Nuc-3373
13
Targets
20
Activities
1
Assay Types
4
PK Parameters
20
Publications
5
Known Names
4
Indications

Molecular Properties

613.5
MW (Da)
3.40
ALogP
10
HBA
3
HBD
158.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem fos-; -uridine
USAN Year 2022

Extended Properties

Molecular Formula C29H29FN3O9P
MW 613.54
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness 0.03

Indications

Colorectal Neoplasms Colorectal Neoplasms Neoplasms Neoplasms

Activity Summary

IC50 20 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.96 7.96 11.0 1
L1210
CHEMBL386
 IC50 7.6 7.475 25.0 2
CCRF-CEM
CHEMBL382
 IC50 7.3 6.7783 50.0 6
HeLa
CHEMBL399
 IC50 7.19 6.395 65.0 2
COLO 205
CHEMBL614561
 IC50 6.85 6.85 140.0 1
RT112/84
CHEMBL6066783
 IC50 6.5 6.5 320.0 1
SK-MES-1
CHEMBL614923
 IC50 6.5 6.5 320.0 1
HT-29
CHEMBL384
 IC50 6.28 6.28 520.0 1
MIA PaCa-2
CHEMBL614725
 IC50 5.83 5.83 1470.0 1
RPMI-8226
CHEMBL614882
 IC50 5.23 5.23 5900.0 1
OVCAR-3
CHEMBL614213
 IC50 5.16 5.16 6910.0 1
HepG2
CHEMBL395
 IC50 4.61 4.61 24500.0 1
NCI-H1975
CHEMBL614348
 IC50 4.14 4.14 72000.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 9.7 hr Homo sapiens
T1/2 0.5667 hr Homo sapiens
T1/2 0.8833 hr Homo sapiens
T1/2 0.7833 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 11.0 nM 7.96 Cytostatic activity against mouse L1210/0 cells after 48 hrs by cell counting 21892829
L1210 IC50 = 25.0 nM 7.6 Cytostatic activity against Mycoplasma hyorhinis-infected mouse L1210 cells afte... 21892829
L1210 IC50 = 45.0 nM 7.35 Cytostatic activity against thymidine-kinase deficient mouse L1210 cells after 4... 21892829
CCRF-CEM IC50 = 50.0 nM 7.3 Cytostatic activity against human CEM cells expressing human ENT1 transporter af... 21892829
HeLa IC50 = 65.0 nM 7.19 Cytostatic activity against human HeLa cells after 72 hrs by cell counting 21892829
CCRF-CEM IC50 = 68.0 nM 7.17 Cytostatic activity against human CEM/0 cells after 72 hrs by cell counting 21892829
CCRF-CEM IC50 = 130.0 nM 6.89 Cytostatic activity against human CEM cells expressing human ENT1 transporter af... 21892829
COLO 205 IC50 = 140.0 nM 6.85 Cytotoxicity against human COLO 205 cells assessed as inhibition of cell viabili... 38547648
CCRF-CEM IC50 = 260.0 nM 6.58 Cytostatic activity against human CEM cells expressing human ENT1 transporter af... 21892829
CCRF-CEM IC50 = 310.0 nM 6.51 Cytostatic activity against thymidine-kinase deficient human CEM cells after 72 ... 21892829
RT112/84 IC50 = 320.0 nM 6.5 Cytotoxicity against human RT112/84 cells assessed as inhibition of cell viabili... 38547648
SK-MES-1 IC50 = 320.0 nM 6.5 Cytotoxicity against human SK-MES-1 cells assessed as inhibition of cell viabili... 38547648
HT-29 IC50 = 520.0 nM 6.28 Cytotoxicity against human HT-29 cells assessed as inhibition of cell viability ... 38547648
CCRF-CEM IC50 = 600.0 nM 6.22 Cytostatic activity against ENT1 transporter-deficient human CEM cells after 72 ... 21892829
MIA PaCa-2 IC50 = 1470.0 nM 5.83 Cytotoxicity against human MIA PaCa-2 cells assessed as inhibition of cell viabi... 38547648
HeLa IC50 = 2500.0 nM 5.6 Cytostatic activity against thymidine-kinase deficient human HeLa cells after 72... 21892829
RPMI-8226 IC50 = 5900.0 nM 5.23 Cytotoxicity against human RPMI-8226 cells assessed as inhibition of cell viabil... 38547648
OVCAR-3 IC50 = 6910.0 nM 5.16 Cytotoxicity against human OVCAR-3 cells assessed as inhibition of cell viabilit... 38547648
HepG2 IC50 = 24500.0 nM 4.61 Cytotoxicity against human HepG2 cells assessed as inhibition of cell viability ... 38547648
NCI-H1975 IC50 = 72000.0 nM 4.14 Cytotoxicity against human NCI-H1975 cells assessed as inhibition of cell viabil... 38547648

Literature References

PubMed DOI Target Context # Activities
21892829 10.1021/jm200815w CCRF-CEM 9
34085825 10.1021/acs.jmedchem.0c02194 ADMET 7
34085825 10.1021/acs.jmedchem.0c02194 KG-1a 6
21892829 10.1021/jm200815w L1210 4
38547648 10.1016/j.bmc.2024.117696 Unchecked 4
34085825 10.1021/acs.jmedchem.0c02194 SW-620 4
34085825 10.1021/acs.jmedchem.0c02194 HT-29 4
34085825 10.1021/acs.jmedchem.0c02194 MDA-MB-231 3
34085825 10.1021/acs.jmedchem.0c02194 HCT-116 3
38547648 10.1016/j.bmc.2024.117696 MOLT-4 2
21892829 10.1021/jm200815w HeLa 2
34085825 10.1021/acs.jmedchem.0c02194 Unchecked 2
38547648 10.1016/j.bmc.2024.117696 PANC-1 2
38547648 10.1016/j.bmc.2024.117696 MIA PaCa-2 2
38547648 10.1016/j.bmc.2024.117696 BXPC-3 2
38547648 10.1016/j.bmc.2024.117696 RT112/84 2
21892829 10.1021/jm200815w Unchecked 2
38547648 10.1016/j.bmc.2024.117696 5637 2
38547648 10.1016/j.bmc.2024.117696 PC-3 2
38547648 10.1016/j.bmc.2024.117696 HT-29 2

Data from ChEMBL 36 via Core Engine