Compound Detail

CHEMBL103356

3-AMINO- 3-DEOXYTHYMIDINE

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Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL103356
Name	3-AMINO- 3-DEOXYTHYMIDINE
Phase	Preclinical
Structure Type	MOL
InChI Key	ADVCGXWUUOVPPB-XLPZGREQSA-N

AMT

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

241.2

MW (Da)

-1.55

ALogP

HBA

HBD

110.3

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas.

IC50 1 meas.

PubMed	DOI	Target Context	# Activities
563460	10.1021/jm00199a020	L1210	30
563460	10.1021/jm00199a020	CCRF S-180	5
22178557	10.1016/j.bmcl.2011.11.114	Huh-7	4
7097717	10.1021/jm00348a007	Thymidine kinase 2	2
18272369	10.1016/j.bmc.2008.01.038	Thymidine phosphorylase	2
22178557	10.1016/j.bmcl.2011.11.114	Mycobacterium tuberculosis	2
3701784	10.1021/jm00155a017	L1210	2
6644738	10.1021/jm00366a006	Deoxycytidine kinase	2
6644738	10.1021/jm00366a006	Thymidine kinase, cytosolic	2
7097717	10.1021/jm00348a007	Thymidine kinase, cytosolic	2
3643284	10.1021/jm00385a033	Moloney murine leukemia virus	1
6854592	10.1021/jm00360a019	unidentified adenovirus	1
6854592	10.1021/jm00360a019	D-38	1
6854592	10.1021/jm00360a019	L cells	1
6854592	10.1021/jm00360a019	Vibrio cholerae	1
6854592	10.1021/jm00360a019	Pasteurella multocida	1
6854592	10.1021/jm00360a019	Salmonella typhimurium	1
6854592	10.1021/jm00360a019	Salmonella	1
6854592	10.1021/jm00360a019	Escherichia coli	1
6854592	10.1021/jm00360a019	Serratia marcescens	1

Data from ChEMBL 36 via Core Engine