Molecule

Lecanindole D

AlkaPlorer ID: AK073416

Synonym: None

IUPAC Name: (1S,12S,15S,17R,20R)-1,16,16,20-tetramethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraene-15,17-diol

Structure

SMILES: CC1(C)[C@H](O)CC[C@]2(C)[C@@]3(C)C4=C(C[C@@H]3CC[C@@]12O)C1=CC=CC=C1N4

InChI: InChI=1S/C23H31NO2/c1-20(2)18(25)10-11-21(3)22(4)14(9-12-23(20,21)26)13-16-15-7-5-6-8-17(15)24-19(16)22/h5-8,14,18,24-26H,9-13H2,1-4H3/t14-,18+,21+,22+,23+/m0/s1

InChIKey: QJRNEHJGTLWRJJ-BVYMYZFFSA-N

Reference

The Lecanindoles, Nonsteroidal Progestins from the Terrestrial Fungus <i>Verticillium lecanii</i> 6144

PubChem CID: 44605900

LOTUS: LTS0039012

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 353.506

TPSA？: 56.25

MolLogP？: 4.310000000000003

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Androgen Receptor	Activity	41.0	%	10.1021/np9004882
Homo sapiens	Androgen Receptor	EC50	nan	None	10.1021/np9004882
Homo sapiens	Androgen Receptor	IC50	10000.0	nM	10.1021/np9004882
Homo sapiens	Estrogen receptor alpha	Activity	19.0	%	10.1021/np9004882
Homo sapiens	Estrogen receptor alpha	Activity	35.0	%	10.1021/np9004882
Homo sapiens	Estrogen receptor alpha	EC50	10000.0	nM	10.1021/np9004882
Homo sapiens	Estrogen receptor alpha	IC50	10000.0	nM	10.1021/np9004882
Homo sapiens	Estrogen receptor beta	Activity	64.0	%	10.1021/np9004882
Homo sapiens	Estrogen receptor beta	EC50	nan	None	10.1021/np9004882
Homo sapiens	Estrogen receptor beta	IC50	3000.0	nM	10.1021/np9004882
Homo sapiens	Glucocorticoid receptor	Activity	58.0	%	10.1021/np9004882
Homo sapiens	Glucocorticoid receptor	EC50	nan	None	10.1021/np9004882
Homo sapiens	Glucocorticoid receptor	IC50	1000.0	nM	10.1021/np9004882
Homo sapiens	Mineralocorticoid receptor	Activity	82.0	%	10.1021/np9004882
Homo sapiens	Mineralocorticoid receptor	EC50	nan	None	10.1021/np9004882
Homo sapiens	Mineralocorticoid receptor	IC50	3000000.0	nM	10.1021/np9004882
Homo sapiens	Progesterone receptor	EC50	1.1	nM	10.1021/np9004882
Homo sapiens	Progesterone receptor	Efficacy	68.0	%	10.1021/np9004882
Homo sapiens	Progesterone receptor	IC50	5.5	nM	10.1021/np9004882
Homo sapiens	Progesterone receptor	IC50	57.3	nM	10.1021/np9004882
Homo sapiens	Progesterone receptor	Ratio EC50	10.0	None	10.1021/np9004882
Homo sapiens	Progesterone receptor	Ratio IC50	10.0	None	10.1021/np9004882