Compound Detail

CHEMBL458323

CYTOCHALASIN Z13

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CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]2(O)[C@@H](/C=C/C[C@H](C)C(=O)[C@H](C)O)[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL458323
Name	CYTOCHALASIN Z13
Phase	Preclinical
Structure Type	MOL
InChI Key	DCWOIJNXHXDCKT-YJFGZGKKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

427.5

MW (Da)

1.93

ALogP

HBA

HBD

106.9

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 4.17

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
P388 CHEMBL389	IC50	4.17	4.17	67000.0	1
A549 CHEMBL392	IC50	4.12	4.12	76000.0	1
HL-60 CHEMBL383	IC50	4.1	4.1	80000.0	1
Bel-7402 CHEMBL614279	IC50	4.06	4.06	88000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
P388	IC50	=	67000.0	nM	4.17	Cytotoxicity against mouse P388 cells after 72 hrs by MTT assay	18507474
A549	IC50	=	76000.0	nM	4.12	Cytotoxicity against human A549 cells after 72 hrs by MTT assay	18507474
HL-60	IC50	=	80000.0	nM	4.1	Cytotoxicity against human HL60 cells after 72 hrs by MTT assay	18507474
Bel-7402	IC50	=	88000.0	nM	4.06	Cytotoxicity against human BEL-7402 cells after 72 hrs by MTT assay	18507474

PubMed	DOI	Target Context	# Activities
29016131	10.1021/acs.jnatprod.6b00878	Human immunodeficiency virus 1	2
18507474	10.1021/np070539b	P388	1
18507474	10.1021/np070539b	A549	1
18507474	10.1021/np070539b	HL-60	1
18507474	10.1021/np070539b	Bel-7402	1
29016131	10.1021/acs.jnatprod.6b00878	SUP-T1	1

Data from ChEMBL 36 via Core Engine