Compound Detail

CHEMBL1818440

SQUAMOSTATIN A

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CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CC[C@H](O)[C@@H]2CC[C@@H](CCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1818440
Name	SQUAMOSTATIN A
Phase	Preclinical
Structure Type	MOL
InChI Key	HKIHGTSLUYNNHM-LIASLPPCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

638.9

MW (Da)

6.83

ALogP

HBA

HBD

125.7

PSA (Å²)

0.06

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

Ki 1 meas. best 5.19

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	5.19	5.19	6450.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	6450.0	nM	5.19	Inhibition of Streptococcus pneumoniae recombinant HMGR class II expressed in Es...	21550257

PubMed	DOI	Target Context	# Activities
21910504	10.1021/jf203017f	Phytophthora infestans	7
22446092	10.1016/j.bmcl.2012.02.109	NON-PROTEIN TARGET	3
22446092	10.1016/j.bmcl.2012.02.109	CCRF S-180	3
21910504	10.1021/jf203017f	Colletotrichum coccodes	3
21910504	10.1021/jf203017f	Blumeria hordei	3
21910504	10.1021/jf203017f	Botrytis cinerea	3
21910504	10.1021/jf203017f	Rhizoctonia solani	3
21910504	10.1021/jf203017f	Pyricularia oryzae	3
21910504	10.1021/jf203017f	Bursaphelenchus xylophilus	2
21550257	10.1016/j.bmc.2011.04.019	Unchecked	1
21910504	10.1021/jf203017f	Puccinia recondita	1

Data from ChEMBL 36 via Core Engine