Payload Information | ADCdb

General Information of This Payload

Payload ID	PAY0FNPWW
Name	Pyrrolo[2,1-c][1,4]benzodiazepine monoamide (PBD-MA)
Synonyms	Pyrrolo[2,1-c][1,4]benzodiazepine; SCHEMBL475588; MSNVESLISHTIRS-UHFFFAOYSA-N Click to Show/Hide
Target(s)	Human Deoxyribonucleic acid (hDNA)					Target Info
Structure
Structure	3D MOL			2D MOL
Formula	C12H10N2
Isosmiles	C1C=CC2=CN=C3C=CC=CC3=CN21
PubChem CID	66697609
InChI	InChI=1S/C12H10N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-6,8-9H,7H2
InChIKey	MSNVESLISHTIRS-UHFFFAOYSA-N
IUPAC Name	9H-pyrrolo[2,1-c][1,4]benzodiazepine
Pharmaceutical Properties	Molecule Weight		182.22	Polar area		15.6
	Complexity		445	xlogp Value		1.7
	Heavy Count		14	Rot Bonds		0
	Hbond acc		2	Hbond Donor		0

The activity data of This Payload

Standard Type	Value	Units	Cell line	Disease Model	Cell line ID	Reference
Half Maximal Inhibitory Concentration (IC50)	22±68	uM	L1210 cells	Lymphoblastic leukemia	CVCL_0382	[1]
Half Maximal Inhibitory Concentration (IC50)	42	uM	LoVo cells	Colon adenocarcinoma	CVCL_0399	[1]

Each Antibody-drug Conjugate Related to This Payload

References

Ref 1	Synthesis and antitumor activity of a new class of pyrazolo[4,3-e]pyrrolo[1,2-a][1,4]diazepinone analogues of pyrrolo[1,4][2,1-c]benzodiazepines. J Med Chem. 1994 Dec 9;37(25):4329-37.

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