Drug Information

Drug General Information

Top

Drug ID

D05FYR

Former ID

DIB020009

Drug Name

hK2p01 derivative KLK2 inhibitor

Synonyms

CHEMBL2171880; hK2p01 derivative KLK2 inhibitor; GTPL8672; BDBM50396163; 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]acetic acid

Click to Show/Hide

Drug Type

Small molecular drug

Indication

Discovery agent [ICD-11: N.A.]

Investigative

[1]

Structure

Download

2D MOL

Formula

C59H82N16O11

Canonical SMILES

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)N

InChI

1S/C59H82N16O11/c1-32(2)49(75-54(82)43(22-13-14-24-60)71-56(84)45(26-36-16-7-6-8-17-36)72-53(81)44(70-50(78)33(3)61)23-15-25-64-59(62)63)58(86)74-47(28-38-30-66-42-21-12-10-19-40(38)42)57(85)73-46(27-37-29-65-41-20-11-9-18-39(37)41)55(83)69-35(5)52(80)68-34(4)51(79)67-31-48(76)77/h6-12,16-21,29-30,32-35,43-47,49,65-66H,13-15,22-28,31,60-61H2,1-5H3,(H,67,79)(H,68,80)(H,69,83)(H,70,78)(H,71,84)(H,72,81)(H,73,85)(H,74,86)(H,75,82)(H,76,77)(H4,62,63,64)/t33-,34-,35-,43-,44-,45-,46-,47-,49-/m0/s1

InChIKey

BVRWWHKWGPOKPN-NXOPMQQOSA-N

PubChem Compound ID

11700955

PubChem Substance ID

16805399, 77858585, 163317687, 163345187, 252166872

Target and Pathway

Top

Target(s)

Tissue kallikrein (KLK2)

Target Info

Inhibitor