Compound Detail

CHEMBL330978

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CC(C)[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(C(=O)O)CCCC1)C(C)(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL330978
Phase	Preclinical
Structure Type	MOL
InChI Key	ZEZGINAYPYMJJU-HOMVEOSBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

917.2

MW (Da)

4.64

ALogP

HBA

HBD

214.6

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 5.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Ribonucleoside-diphosphate reductase RR1 CHEMBL2095215	EC50	5.51	5.445	3100.0	2
BHK-21 CHEMBL614527	EC50	5.51	5.445	3100.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Ribonucleoside-diphosphate reductase RR1	EC50	=	3100.0	nM	5.51	Inhibitory activity against HSV-1 in baby hamster kidney cell	7658449
BHK-21	EC50	=	3100.0	nM	5.51	Effective concentration was evaluated against HSV-1 by using serum starved baby ...	8863795
Ribonucleoside-diphosphate reductase RR1	EC50	=	4200.0	nM	5.38	Inhibitory activity against HSV-2 in baby hamster kidney cell	7658449
BHK-21	EC50	=	4200.0	nM	5.38	Effective concentration was evaluated against HSV-2 by using serum starved baby ...	8863795

PubMed	DOI	Target Context	# Activities
7658449	10.1021/jm00018a022	Ribonucleoside-diphosphate reductase RR1	2
8863795	10.1021/jm960324r	BHK-21	2

Data from ChEMBL 36 via Core Engine