Tan Lab | DSigDB

Gene Set: D1 - Approved - DACTINOMYCIN

Collection

D1 : Approved

Chemical Name

DACTINOMYCIN

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Approved	Not	Not	Not	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
1255.42 g/mol	5	28	2.3736	False(2/4)

Structure

InChI

InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36?,37?,42-,43-,44+,45+,48+,49+/m1/s1

InChIKey

RJURFGZVJUQBHK-ONBOYWQVSA-N

Links

Gene (24 / 65)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	Potency	uM	12.589	ALOX15	-	GI(Protien) :
PubChem	Potency	uM	0.001	AR	-	GI(Protien) :
PubChem	Potency	uM	0.004	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	0.007	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	0.015	AR	-	GI(Protien) :
PubChem	Potency	uM	0.015	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.023	AR	-	GI(Protien) :
PubChem	Potency	uM	0.024	AR	-	GI(Protien) :
PubChem	Potency	uM	0.002	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	0.094	CYP19A1	-	GI(Protien) :
PubChem		uM		CYP19A1	-	GI(Protien) :
PubChem		uM		CYP1A2		GI(Protien) :
PubChem		uM		CYP2D6		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.004	ESR1	-	GI(Protien) :
PubChem	Potency	uM	0.011	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	0.013	ESR1	-	GI(Protien) :
PubChem	Potency	uM	0.013	ESR1	-	GI(Protien) :
PubChem	Potency	uM	0.035	ESR1	-	GI(Protien) :
PubChem	Potency	uM	0.053	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.058	ESR1	-	GI(Protien) :
PubChem	Potency	uM	0.084	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	0.091	ESR1	-	GI(Protien) :
PubChem		uM		GAPDH	-	GI(Protien) :
PubChem	Potency	uM	0.032	HTT	-	GI(Protien) :
PubChem		uM		NR1H4	-	GI(Protien) :
PubChem	Potency	uM	0.112	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	0.126	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	0.135	NR3C1	-	GI(Protien) :
PubChem		uM		NRP2	-	GI(Protien) :
PubChem	Potency	uM	0.002	PPARD	-	GI(Protien) :
PubChem	Potency	uM	0.012	PPARD	-	GI(Protien) :
PubChem		uM		PPARD	-	GI(Protien) :
PubChem		uM		PPARG	-	GI(Protien) :
PubChem	Mean IC50	uM	32.100	RAD51	-	GI(Protien) :
PubChem	Potency	uM	0.027	RORC	-	GI(Protien) :
PubChem	Potency	uM	0.014	RXRA	-	GI(Protien) :
PubChem	Potency	uM	0.032	RXRA	-	GI(Protien) :
PubChem	Potency	uM	0.006	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.007	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.050	THRB	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.002	TP53	-	GI(Protien) :
PubChem	Potency	uM	0.003	TP53	-	GI(Protien) :
PubChem	Potency	uM	0.005	TP53	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.006	TP53	-	GI(Protien) :
PubChem	Potency	uM	44.668	VDR	-	GI(Protien) :
PubChem		uM		VDR	-	GI(Protien) :
ChEMBL	Potency	nM	12589.300	ALOX15	-	Target : CHEMBL2903
ChEMBL	Potency	nM	12589.300	APEX1	-	Target : CHEMBL5619
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	11220.200	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	35.500	ESR1	-	Target : CHEMBL206
ChEMBL	Potency	nM	31.600	HTT	-	Target : CHEMBL5514
ChEMBL	Potency	nM	112.200	NR3C1	-	Target : CHEMBL2034
ChEMBL	Potency	nM	125.900	NR3C1	-	Target : CHEMBL2034
ChEMBL	Potency	nM	1412.500	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	15848.900	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	3548.100	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	26.600	RORC	-	Target : CHEMBL1741186
ChEMBL	Potency	nM	31.600	RXRA	-	Target : CHEMBL2061
ChEMBL	Potency	nM	14.100	RXRA	-	Target : CHEMBL2061
ChEMBL	Potency	nM	50.100	THRB	-	Target : CHEMBL1947
ChEMBL	Potency	nM	44668.400	VDR	-	Target : CHEMBL1977

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