Compound Detail

CHEMBL1641966

CAMPHORATIN C

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC3=O)C(C)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1641966
Name	CAMPHORATIN C
Phase	Preclinical
Structure Type	MOL
InChI Key	VQOGQXBQGQLQDY-JUVRMLKSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

486.6

MW (Da)

4.48

ALogP

HBA

HBD

111.9

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

EC50 2 meas. best 6.52

IC50 2 meas. best 4.31

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
KB CHEMBL398	EC50	6.52	6.52	300.0	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	5.64	5.64	2300.0	1
A549 CHEMBL392	IC50	4.31	4.31	48800.0	1
MDA-MB-231 CHEMBL400	IC50	4.2	4.2	62800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
KB	EC50	=	300.0	nM	6.52	Cytotoxicity against human KB cells after 3 days by sulforhodamine B assay	21028898
NON-PROTEIN TARGET	EC50	=	2300.0	nM	5.64	Cytotoxicity against human KBVIN cells after 3 days by sulforhodamine B assay	21028898
A549	IC50	=	48800.0	nM	4.31	Cytotoxicity against human A549 cells after 48 hrs by SRB assay	24387703
MDA-MB-231	IC50	=	62800.0	nM	4.2	Cytotoxicity against human MDA-MB-231 cells after 48 hrs by SRB assay	24387703

PubMed	DOI	Target Context	# Activities
21028898	10.1021/np1002143	KB	1
21028898	10.1021/np1002143	NON-PROTEIN TARGET	1
24387703	10.1021/np400741s	A549	1
24387703	10.1021/np400741s	MDA-MB-231	1
24387703	10.1021/np400741s	Hs68	1

Data from ChEMBL 36 via Core Engine